⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29783048 | 0.70 | ESR1 (0.41) | — | |
| SCHEMBL31259415 | 0.67 | KDM1A (0.41) | — | |
| SCHEMBL226243 | 0.65 | KDM1A (0.32) | — | |
| SCHEMBL2996759 | 0.63 | MAPT (0.33) | — | |
| SCHEMBL2996233 | 0.63 | — | — | |
| SCHEMBL15161167 | 0.63 | — | — | |
| SCHEMBL6383024 | 0.63 | ALDH1A1 (0.40) | — | |
| SCHEMBL13254797 | 0.63 | — | — | |
| SCHEMBL4583165 | 0.63 | — | — | |
| SCHEMBL29652246 | 0.61 | CA1 (0.30) | — |
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-4221713-A | Cyclization substrates and related 11α-equatorially-substituted steroids | AKZONA INCORPORATED (US) | 1980-09-09 | — | — | US | disclosed |
| US-4186142-A | Cyclization substrates and 6α-substituted 19-norsteroid derivatives | AKZONA INCORPORATED (US) | 1980-01-29 | — | — | US | disclosed |