REAL Space

Billions of make-on-demand molecules

The REAL Space comprises 48B make-on-demand molecules and is currently the largest offer of commercially available compounds. The REAL compounds in the Space are assembled via more than 167 well-validated parallel synthesis protocols applied to over 143 000 qualified reagents and building blocks. The synthetic protocols include standard and advanced one-pot procedures. They differ in the number of steps, type of purification, and compound handling, and therefore in the effort required to deliver the products.

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The REAL Space is not an enumerated database in a general sense: all search results are generated on the fly if they possess the same features as the query. The Space is currently accessible via InfiniSee. InfiniSee is a chemoinformatics software developed jointly with BioSolveIT. InfiniSee vast resource allows for efficient hit exploration: from finding previously unknown analogs to scaffold hopping. Instead of using a Tanimoto similarity metric, the tool employs pharmacophore-style features which are not tied rigidly to substructure patterns and are more related to the properties. Therefore, the tool provides an escape from the availability bias of current in-stock screening collections towards IP-free areas.

Amazingly, but chemical space of 48B compounds is stored in an archive of merely a few hundred megabytes, and the average search time on a standard computer is between 2 and 4 minutes.

Some facts about accessing the REAL Space via InfiniSee:

  • the compounds generated are virtual but they are the REAL – readily accessible
  • synthesis time is 3-4 weeks with an average success rate of over 80%
  • 48B molecules: the world's largest, ultra-fast searchable chemical space
  • search time 2 to 4 minutes on average for a typical lead
  • exceptional scaffold hopping capabilities to explore IP free areas

 

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Availability

You can download and try InfiniSee here.

Help

InfiniSee is super-easy to use. Yet, just in case, here is a little bit of help.

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