⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2058181 | 0.93 | — | — | |
| SCHEMBL11868831 | 0.81 | TSHR (0.31) | — | |
| SCHEMBL6626567 | 0.78 | — | — | |
| SCHEMBL9278566 | 0.77 | — | — | |
| SCHEMBL29108962 | 0.75 | — | — | |
| SCHEMBL15364669 | 0.75 | — | — | |
| SCHEMBL4079651 | 0.75 | TSHR (0.31) | — | |
| SCHEMBL9286726 | 0.73 | BDKRB2 (0.30) | — | |
| SCHEMBL21865016 | 0.73 | BDKRB2 (0.34) | — | |
| SCHEMBL4166487 | 0.72 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2014037313-A1 | USE OF SUBSTITUTED BENZODIAZEPINONES AND BENZAZEPINONES OR THE SALTS THEREOF AS ACTIVE SUBSTANCES AGAINST ABIOTIC PLANT STRESS | BAYER CROPSCIENCE AG (DE) | 2014-03-13 | — | — | WO | disclosed |
| US-7601748-B2 | Anti-androgenic N-[ omega -[3-[4-cyano-3-(trifluoromethyl)-phenyl]-5,5-dimethyl-4-oxo-2-thioxoimidazolidin-1-yl]alkyl]-substituted pyrrolidines; treatment of prostate cancer, benign prostate hyperplasia, androgenetic alopecia, hirsutism or acne | BAYER SCHERING PHARMA AG (DE) | 2009-10-13 | — | — | US | disclosed |
| EP-1622894-B1 | ANTITUMORAL ANTIANDROGENIC PYRROLIDINES | BAYER SCHERING PHARMA AG (DE) | 2009-01-14 | — | — | EP | disclosed |
| US-20070021481-A1 | Anti-androgenic pyrrolidines with tumor-inhibiting action | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2007-01-25 | — | — | US | disclosed |
| US-7138421-B2 | Anti-androgenic pyrrolidines with tumor-inhibiting action | SCHRING AKTIENGESELLSCHAFT (DE) | 2006-11-21 | — | — | US | disclosed |
| US-20050159468-A1 | Anti-androgenic pyrrolidines with tumor-inhibiting action | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2005-07-21 | — | — | US | disclosed |