⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5584076 | 0.90 | AHR (0.35) | — | |
| SCHEMBL435265 | 0.84 | ALOX5 (0.45) | — | |
| SCHEMBL246786 | 0.84 | CYP1A2 (0.42) | — | |
| SCHEMBL27486807 | 0.82 | CYP1A2 (0.41) | — | |
| SCHEMBL2430752 | 0.80 | TXN (0.34) | — | |
| SCHEMBL9667405 | 0.80 | MAPK1 (0.39) | — | |
| SCHEMBL15287226 | 0.80 | AHR (0.31) | — | |
| SCHEMBL2011823 | 0.76 | PGR (0.33) | — | |
| SCHEMBL3139514 | 0.76 | ALOX5 (0.47) | — | |
| SCHEMBL21143011 | 0.76 | TDP2 (0.41) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| JP-5247186-A | — | — | None | — | — | JP | disclosed |
| US-6762205-B1 | STEROID SULFATASE INHIBITORS WITHOUT ESTROGENIC SIDE EFFECT ACTION | TEIKOKU HORMONE MFG. CO., LTD. (JP) | 2004-07-13 | — | — | US | disclosed |
| EP-1193250-A1 | PHENYL SULFAMATE DERIVATIVES | Teikoku Hormone Mfg. Co., Ltd. (JP) | 2002-04-03 | — | — | EP | disclosed |
| JP-H05247186-A | OPTICALLY ACTIVE POLYESTER AND ITS PRODUCTION | TAKASAGO INTERNATL CORP | 1993-09-24 | — | — | JP | disclosed |