⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8768957 | 0.87 | ESR2 (0.31) | — | |
| SCHEMBL8768005 | 0.86 | — | — | |
| SCHEMBL8767953 | 0.85 | PARP1 (0.31) | — | |
| SCHEMBL8768846 | 0.80 | — | — | |
| SCHEMBL8768906 | 0.78 | — | — | |
| SCHEMBL8768195 | 0.76 | PGR (0.36) | — | |
| SCHEMBL8768994 | 0.66 | HSD17B1 (0.33) | — | |
| SCHEMBL8767932 | 0.64 | — | — | |
| SCHEMBL8767954 | 0.64 | CYP3A4 (0.33) | — | |
| SCHEMBL8768855 | 0.63 | — | — |
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-0567469-B1 | 14beta-H-, 14- AND 15-EN-11beta-ARYL-4-ESTRENES | SCHERING AG (DE) | 1997-08-27 | — | — | EP | disclosed |
| US-5426102-A | Antigestagenic, antiandrogenic, antiglucocorticoid, antimineralcorticoid properties | SCHERING AKTIENGESELLSCHAFT (DE) | 1995-06-20 | — | — | US | disclosed |