⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8407453 | 0.88 | PGR (0.34) | — | |
| SCHEMBL8407083 | 0.86 | CYP19A1 (0.37) | — | |
| SCHEMBL8407074 | 0.78 | PGR (0.33) | — | |
| SCHEMBL8652170 | 0.73 | ESR1 (0.38) | — | |
| SCHEMBL8654560 | 0.73 | STS (0.38) | — | |
| SCHEMBL8410289 | 0.72 | PGR (0.32) | — | |
| SCHEMBL8655584 | 0.71 | AKR1C3 (0.34) | — | |
| SCHEMBL6864127 | 0.71 | AKR1C3 (0.33) | — | |
| SCHEMBL8768966 | 0.70 | MEN1 (0.33) | — | |
| SCHEMBL8425100 | 0.69 | PGR (0.47) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0565553-B1 | 6,7-MODIFIED 11$g(b)-ARYL-4-ESTRENES | SCHERING AG (DE) | 1999-07-21 | — | — | EP | disclosed |
| US-5843931-A | 6,7-modified 11β-aryl-4-oestrenes | SHERING AKTIENGESELLSCHAFT (DE) | 1998-12-01 | — | — | US | disclosed |