⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13796902 | 0.81 | PGR (0.34) | — | |
| SCHEMBL13768466 | 0.78 | CYP19A1 (0.37) | — | |
| SCHEMBL13556656 | 0.75 | SHBG (0.44) | — | |
| SCHEMBL13769269 | 0.73 | PDK1 (0.31) | — | |
| SCHEMBL13796510 | 0.73 | PGR (0.47) | — | |
| SCHEMBL13768718 | 0.71 | AR (0.45) | — | |
| SCHEMBL13768840 | 0.70 | PGR (0.36) | — | |
| SCHEMBL13796904 | 0.70 | PGR (0.37) | — | |
| SCHEMBL13796898 | 0.66 | AR (0.32) | — | |
| SCHEMBL13796033 | 0.66 | CYP19A1 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009083272-A2 | 19-NOR-STEROID DERIVATIVES WITH A 15α,16α-METHYLENE GROUP AND A SATURATED 17,17-SPIROLACTONE RING, USE THEREOF, AND MEDICAMENTS CONTAINING SAID DERIVATIVES | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2009-07-09 | — | — | WO | disclosed |