⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6817269 | 0.62 | — | — | |
| SCHEMBL6817296 | 0.61 | — | — | |
| SCHEMBL7998195 | 0.60 | SHBG (0.30) | — | |
| SCHEMBL5453261 | 0.59 | — | — | |
| SCHEMBL3333292 | 0.59 | — | — | |
| SCHEMBL9738461 | 0.59 | — | — | |
| SCHEMBL5380948 | 0.58 | — | — | |
| SCHEMBL1657395 | 0.57 | CYP19A1 (0.36) | — | |
| SCHEMBL6247864 | 0.57 | MAPT (0.36) | — | |
| SCHEMBL12464963 | 0.56 | CYP19A1 (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20080182829-A1 | 8Beta-Hydrocarbyl-Substituted Estratrienes As Selectively Active Estrogens | PETERS OLAF | 2008-07-31 | — | — | US | disclosed |
| US-7378404-B2 | 8β-hydrocarbyl-substituted estratrienes for use as selective estrogens | SCHERING AKTIENGESELLSCHAFT (DE) | 2008-05-27 | — | — | US | disclosed |
| US-7375098-B2 | 8β-vinyl-11β-(ω-substituted)alkyl-estra-1,3,5(10)-trienes | SCHERING A.G. (DE) | 2008-05-20 | — | — | US | disclosed |
| US-20050065135-A1 | 8beta-Vinyl-11beta-(omega-substituted)alkyl-estra-1,3,5(10)-trienes | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2005-03-24 | — | — | US | disclosed |
| US-20040029847-A1 | 8Beta-substituted-11-beta-pentyl-and 11-beta-hexyl-estra-1,3,5(10)-triene derivatives | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2004-02-12 | — | — | US | disclosed |
| US-20030176405-A1 | 8 Beta-hydrocarbyl-substituted estratrienes for use as selective estrogens | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2003-09-18 | — | — | US | disclosed |
| US-20030171345-A1 | 8Beta-substituted 11beta-aryl-estra-1,3,5,(10)-triene derivatives | SCHERING AG (DE) | 2003-09-11 | — | — | US | disclosed |