⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2636636 | 1.00 | — | — | |
| SCHEMBL2636551 | 0.94 | — | — | |
| SCHEMBL2636490 | 0.81 | — | — | |
| SCHEMBL2636492 | 0.81 | — | — | |
| SCHEMBL4872071 | 0.79 | — | — | |
| SCHEMBL4872076 | 0.79 | — | — | |
| SCHEMBL3771512 | 0.75 | — | — | |
| SCHEMBL20305458 | 0.75 | — | — | |
| SCHEMBL3771515 | 0.75 | — | — | |
| SCHEMBL3772084 | 0.62 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2437746-A2 | 17 BETA-ALKYL-17 ALPHA-OXY-ESTRATRIENES | Bayer Pharma Aktiengesellschaft (DE) | 2012-04-11 | — | — | EP | disclosed |
| WO-2010139411-A2 | 17β-ALKYL-17α-OXY-ESTRATRIENES | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2010-12-09 | — | — | WO | disclosed |
| EP-2258375-A1 | 17B-alkyl-17alpha-oxy-estratrienes | Bayer Schering Pharma Aktiengesellschaft (DE) | 2010-12-08 | — | — | EP | disclosed |