Ultra fast search in ultra large spaces: a revolution!

Instantly search billions of molecules for superstructures or similar structures which can be ordered at our partners to be synthesized.

The DataWarrior Hyperspace Plugin gives you access to Enamine REAL Space’s universe of 38 billion synthesisable molecules through lightning-fast substructure searches.

Want to give it a try ? It is also ultra simple to test…

  1. Download DataWarrior
  2. Start DataWarrior and allow automatic update in Help>Update Mode.
  3. Install the Hyperspace plugin: select Help>Trusted Plugins
  4. Restart DataWarrior; a new menu Alipheron has been created. Launch the Hyperspace Search. Simply register with your email to receive the passcode, sent by ‘Robot at openmolecules.org’. register
  5. Enter the pass code in DataWarrior’s dialog and … that’s it! You can start searching! Draw or paste a (sub)structure or even a chemical name, click OK, and within moments you’ll get a comprehensive list of matching structures.

Are the searches for free?

As a matter of fact, substructure and similarity searches are free up to a certain limit and with a limited number of results. The concept of token is as follows:

  • Your token starts at 25 credits and is replenished every 24 hours.
  • A successful similarity or substructure search deducts 5 credits from your token.
  • Free similarity or substructure searches are limited to 999 result rows.

You can purchase more credits for your token using Paypal or credit card. Searches with purchased tokens cost 10 credits, but return up to 10’000 rows. Searches that don’t return any results are always free.

Alipheron hyperspace can be installed locally, without the need for an internet connection. Just contact us at web@alipheron.com

Real time demonstration video

Screen recording real time There are two search modes: ‘Superstructures of’ to find molecules containing the specified substructure, or ‘Similar structures to’ to search based on chemical similarity. In substructure mode, use advanced query features such as exclude groups or bond bridges to fine-tune your search. In similarity mode, adjust the threshold slider for a comprehensive search of entire molecules, such as drugs.

About spaces…

Enamine

Enamine is a scientifically driven integrated discovery Contract Research Organization with unique partnering opportunities in exploring new chemical space. The company combines access to the in-house produced screening compounds (4.2M in stock) and building blocks (300K in stock) with a comprehensive platform of integrated discovery services to advance and accelerate the efforts in Drug Discovery. https://enamine.net

Enamine REAL Space

Enamine REAL Space contains over 38 billion make-on-demand molecules that can be synthesized at Enamine extremely fast (3-4 weeks), with high feasibility (over 80%), and inexpensive. The REAL compounds are created by parallel chemistry through the compilation of 137,000 building blocks via 167 different synthesis protocols, underlying Enamine’s approach to design make-on-demand compounds to maximize synthesis success rate. https://enamine.net/compound-collections/real-compounds

Freedom Space 3.0

Freedom Space 3.0 is a diverse collection of 5 billion molecules, that can be synthesized on-demand within 5-6 weeks. It is a valuable addition to Enamine REAL Space. It is a unique space that was created using machine learning (ML) based filters, that were trained on the reaction success data from Enamine. First, a collection of in-stock building blocks from several suppliers was created, the blocks were filtered using ML models and combined utilizing 10 well-validated chemical transformations. https://chem-space.com/compounds/freedom-space

Get in Touch:

Questions, feedback, or need assistance? Reach out to us at web@alipheron.com for prompt support and expert guidance.

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