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Navigate in REAL Space


What is REAL space?

It’s the world's largest collection of commercially available chemical compounds containing approximately 13.14 billion molecules. The chemical space is based on 183 Enamine synthesis protocols and in-stock building blocks.

Are all the compounds real?

The compounds are made on demand and the success rate is above 80 % with a synthesis time of 3 weeks. This is possible due to the careful selection of reliable reaction protocols and in-stock building blocks, which were used to build the space.

What is REAL Space Navigator?

It’s an app, which you can install locally on your PC. It contains the same 13.14 billion molecules, but the search runs behind your firewall. Using the REAL Space Navigator App you do not have to reveal your query molecule on the internet.

Why can't I search by Substructure?

The space is a build from chemical reactions and compatible building blocks. Currently substructure searching is not in the scope of supported functionalities. But you can search for any molecule containing the substructure of interest and filter the results for exact matches afterwards.

Are REAL space and REAL DB the same?

No. Whilst the REAL DB is a manual collection of chemical compounds the REAL Space is a combinatorial exploration of all possibilities. And the Space with it’s 13.14 billion compounds is orders of magnitude bigger than the REAL DB, which contains 1.21 billion compounds.

Can I download the space?

Yes, from BioSolveIT. But please keep in mind that this is not a classical SD file, which is impossible for 11 billion compounds. You will need the suitable search algorithm, as e.g. in infiniSee to explore it.

How does the search works?

The search works via similarity to a user-given query or template molecule. The search algorithm (Feature Trees) represents a molecule in a fuzzy way. This allows you to find either close chemical analogues of your query or scaffold hops to structurally diverse compounds sharing the same pharmacophore properties. A little explanatory video can be found here.

What is the expected delivery time?

Synthesis time is less than 3 weeks. Depending on the shipping time, you may expect the final screening compounds to arrive at your bench within approximately 4 weeks. Our success rate lies above 80%.

Why should I Navigate in REAL Space?

Navigating REAL Space is great for efficient hit exploration, from finding previously unknown analogues to scaffold hopping. Exceptional scaffold hopping capabilities of our search engine allow you to explore IP free areas as well as solve existing practical problems in drug discovery related to physicochemical properties, metabolic stability, toxicity etc.