⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6853942 | 1.00 | — | — | |
| SCHEMBL6852226 | 0.92 | THRB (0.34) | — | |
| SCHEMBL6853477 | 0.92 | THRB (0.34) | — | |
| SCHEMBL6852227 | 0.92 | THRB (0.34) | — | |
| SCHEMBL6853478 | 0.92 | THRB (0.34) | — | |
| SCHEMBL6849191 | 0.87 | — | — | |
| SCHEMBL6849193 | 0.87 | — | — | |
| SCHEMBL1220458 | 0.76 | — | — | |
| SCHEMBL1220456 | 0.76 | — | — | |
| SCHEMBL8755175 | 0.71 | THRB (0.31) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6780855-B2 | TREATING A PATIENT SUFFERING FROM AN ESTROGEN DEPENDENT-DISEASE | SCHERING AKTIENGESELLSCHAFT (DE) | 2004-08-24 | — | — | US | disclosed |
| US-20030069434-A1 | 11BETA-HALOGEN-7ALPHA-SUBSTITUTED ESTRATRIENES, METOD FOR PRODUCING PHARMACEUTICAL PREPARATIONS CONTAINING SAID 11BETA-HALOGEN-7ALPHA- SUBSTITUTED ESTRATRIENES AND USE OF THE SAME FOR PRODUCING MEDICAMENTS | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2003-04-10 | — | — | US | disclosed |
| EP-1042355-B1 | 11BETA-HALOGEN-7ALPHA-SUBSTITUTED ESTRATRIENES, METHOD FOR PRODUCING PHARMACEUTICAL PREPARATIONS CONTAINING SAID 11BETA-HALOGEN-7ALPHA-SUBSTITUTED ESTRATRIENES AND USE OF THE SAME FOR PRODUCING MEDICAMENTS | SCHERING AG (DE) | 2003-02-12 | — | — | EP | disclosed |
| EP-1042355-A1 | 11BETA-HALOGEN-7ALPHA-SUBSTITUTED ESTRATRIENES, METHOD FOR PRODUCING PHARMACEUTICAL PREPARATIONS CONTAINING SAID 11BETA-HALOGEN-7ALPHA-SUBSTITUTED ESTRATRIENES AND USE OF THE SAME FOR PRODUCING MEDICAMENTS | Schering Aktiengesellschaft (DE) | 2000-10-11 | — | — | EP | disclosed |
| WO-1999033855-A1 | 11β-HALOGEN-7α-SUBSTITUTED ESTRATRIENES, METHOD FOR PRODUCING PHARMACEUTICAL PREPARATIONS CONTAINING SAID 11β-HALOGEN-7α-SUBSTITUTED ESTRATRIENES AND USE OF THE SAME FOR PRODUCING MEDICAMENTS | SCHERING AKTIENGESELLSCHAFT (DE) | 1999-07-08 | — | — | WO | disclosed |