⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3389140 | 1.00 | — | — | |
| Bromide SCHEMBL7719157 | 0.97 | — | — | |
| SCHEMBL8600554 | 0.72 | — | — | |
| SCHEMBL8600550 | 0.72 | — | — | |
| SCHEMBL8601851 | 0.69 | — | — | |
| SCHEMBL8601849 | 0.69 | — | — | |
| SCHEMBL30390700 | 0.69 | — | — | |
| SCHEMBL11737446 | 0.67 | — | — | |
| SCHEMBL2334964 | 0.67 | — | — | |
| SCHEMBL3160531 | 0.67 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102796161-A | Estratriene derivatives and their uses as 17beta-hydr0xyster0id dehydrogenase inhibitors | SOLVAY PHARM GMBH | 2012-11-28 | — | — | CN | disclosed |
| CN-101506221-B | Estratriene derivatives and their use as 17 beta-hydroxysteroid dehydrogenase inhibitors | SOLVAY PHARM BV | 2012-09-12 | — | — | CN | disclosed |
| EP-1076646-B1 | METHOD FOR STEREOCHEMICALLY CONTROLLED PRODUCTION OF ISOMERICALLY PURE HIGHLY SUBSTITUTED AZACYCLIC COMPOUNDS | SOLVAY PHARM GMBH (DE) | 2004-08-04 | — | — | EP | disclosed |
| EP-1076646-A1 | METHOD FOR STEREOCHEMICALLY CONTROLLED PRODUCTION OF ISOMERICALLY PURE HIGHLY SUBSTITUTED AZACYCLIC COMPOUNDS | Solvay Pharmaceuticals GmbH (DE) | 2001-02-21 | — | — | EP | disclosed |
| WO-1999058500-A1 | METHOD FOR STEREOCHEMICALLY CONTROLLED PRODUCTION OF ISOMERICALLY PURE HIGHLY SUBSTITUTED AZACYCLIC COMPOUNDS | SOLVAY PHARMACEUTICALS GMBH (DE) | 1999-11-18 | — | — | WO | disclosed |
| US-4918231-A | REACTING A SILYLATED CYANOHYDRIN WITH GRIGNARD REAGENT; TREATING WITH REDUCING AGENT; HYDROLYSIS | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1990-04-17 | — | — | US | disclosed |
| EP-0170517-B1 | PROCESS FOR THE PRODUCTION OF 1,2-AMINO ALCOHOLS | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1989-12-27 | — | — | EP | disclosed |
| EP-0170517-A2 | Process for the production of 1,2-amino alcohols | MINNESOTA MINING AND MANUFACTURING COMPANY (US) | 1986-02-05 | — | — | EP | disclosed |