⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5200222 | 0.83 | — | — | |
| SCHEMBL1451128 | 0.75 | CA1 (0.41) | — | |
| SCHEMBL17315422 | 0.73 | — | — | |
| SCHEMBL4303151 | 0.62 | CA1 (0.41) | — | |
| SCHEMBL6004532 | 0.61 | — | — | |
| SCHEMBL7130640 | 0.57 | — | — | |
| SCHEMBL15662063 | 0.56 | — | — | |
| SCHEMBL3210567 | 0.55 | — | — | |
| SCHEMBL8220066 | 0.55 | GPR3 (0.44) | — | |
| SCHEMBL7785031 | 0.54 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8288367-B2 | Treatment or inhibition of a steroid hormone dependent disorder; reducing spermatogenesis or male virility; 17 beta -hydroxysteroid dehydrogenase (17 beta-HSD) inhibitors; compounds such as 3-(benzylamino)-15alpha-(4-morpholin-4-yl-4-oxobutyl)estra-1(10),2,4-trien-17-one | SOLVAY PHARMACEUTICALS GMBH (DE) | 2012-10-16 | — | — | US | disclosed |
| US-20080255075-A1 | SUBSTITUTED ESTRATRIENE DERIVATIVES AS 17BETA HSD INHIBITORS | SOLVAY PHARMACEUTICALS GMBH (DE) | 2008-10-16 | — | — | US | disclosed |