⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1415037 | 0.67 | CA2 (0.35) | — | |
| SCHEMBL8988145 | 0.67 | SHBG (0.36) | — | |
| SCHEMBL8970922 | 0.61 | AKR1C3 (0.42) | — | |
| SCHEMBL8571107 | 0.57 | SHBG (0.60) | — | |
| SCHEMBL9831391 | 0.54 | GSR (0.31) | — | |
| SCHEMBL9831397 | 0.54 | GSR (0.31) | — | |
| SCHEMBL5851454 | 0.53 | STS (0.70) | — | |
| SCHEMBL13738690 | 0.52 | GSR (0.59) | — | |
| SCHEMBL13737852 | 0.52 | GSR (0.59) | — | |
| SCHEMBL28921005 | 0.51 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0719276-A1 | ORALLY ACTIVE DERIVATIVES OF 1,3,5(10)-ESTRATRIENE | THE GOVERNMENT OF THE UNITED STATES OF AMERICA as represented by the SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) | 1996-07-03 | — | — | EP | disclosed |