⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2288963 | 0.78 | — | — | |
| SCHEMBL15262068 | 0.78 | MAPT (0.31) | — | |
| SCHEMBL29646211 | 0.72 | CYP19A1 (0.31) | — | |
| SCHEMBL18886653 | 0.70 | KDM4E (0.37) | — | |
| SCHEMBL32932966 | 0.66 | — | — | |
| SCHEMBL4609471 | 0.65 | SMN1; SMN2 (0.31) | — | |
| SCHEMBL2159026 | 0.64 | KDM4E (0.34) | — | |
| SCHEMBL895809 | 0.63 | — | — | |
| SCHEMBL23781866 | 0.62 | — | — | |
| SCHEMBL11739358 | 0.62 | KDM4E (0.36) | — |
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-1608671-A1 | OESTROGEN DERIVATIVES AS INHIBITORS OF STEROID SULPHATASE | Sterix Limited (GB) | 2005-12-28 | — | — | EP | disclosed |
| WO-2004085459-A1 | OESTROGEN DERIVATIVES AS INHIBITORS OF STEROID SULPHATASE | STERIX LIMITED (GB) | 2004-10-07 | — | — | WO | disclosed |