⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL6052829 | 1.00 | — | — | |
| SCHEMBL57923 | 0.80 | TSHR (0.32) | — | |
| SCHEMBL22492983 | 0.80 | TSHR (0.32) | — | |
| SCHEMBL9452448 | 0.78 | TSHR (0.30) | — | |
| SCHEMBL9786112 | 0.76 | AR (0.33) | — | |
| Isopropyl Alcohol SCHEMBL28569032 | 0.76 | ALDH1A1 (0.33) | — | |
| SCHEMBL9452078 | 0.75 | — | — | |
| SCHEMBL6052811 | 0.75 | MEN1 (0.38) | — | |
| SCHEMBL22443202 | 0.74 | — | — | |
| SCHEMBL81639 | 0.74 | — | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 7 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0927766-B1 | Enzymatic process for the preparation of (S)-cyanhydrines | DSM FINE CHEM AUSTRIA GMBH (AT) | 2006-06-14 | — | — | EP | disclosed |
| US-6337196-B1 | REACTION OF KETONE WITH CYANIDE TO FORM CYANOHYDRIN | DSM FINE CHEMICALS AUSTRIA NFG GMBH & COKG (AT) | 2002-01-08 | — | — | US | disclosed |
| EP-0951561-B1 | ENZYMATIC PROCESSES FOR PREPARING (S)-CYANOHYDRINS | DSM FINE CHEM AUSTRIA GMBH (AT) | 2001-08-08 | — | — | EP | disclosed |
| US-6225095-B1 | REACTING ALDEHYDE OR KETONE DISSOLVED IN AN ORGANIC, WATER-IMMISCIBLE OR SLIGHTLY MISCIBLE DILUENT, AN AQUEOUS HYDROXYNITRILE LYASE SOLUTION, AND A CYANIDE GROUP DONOR TO FORM AN EMULSION WHICH IS MAINTAINED BY STIRRING | DSM FINE CHEMICALS AUSTRIA GMBH (AT) | 2001-05-01 | — | — | US | disclosed |
| EP-0951561-A1 | ENZYMATIC PROCESSES FOR PREPARING (S)-CYANOHYDRINS | DSM Fine Chemicals Austria GmbH (AT) | 1999-10-27 | — | — | EP | disclosed |
| EP-0927766-A1 | Enzymatic process for the preparation of (S)-cyanhydrines | DSM Fine Chemicals Austria GmbH (AT) | 1999-07-07 | — | — | EP | disclosed |
| WO-1998030711-A1 | ENZYMATIC PROCESSES FOR PREPARING (S)-CYANOHYDRINS | DSM CHEMIE LINZ GMBH (AT) | 1998-07-16 | — | — | WO | disclosed |