⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28920055 | 0.71 | ALDH1A1 (0.30) | — | |
| SCHEMBL31376565 | 0.71 | ALDH1A1 (0.30) | — | |
| SCHEMBL9505375 | 0.69 | — | — | |
| SCHEMBL9505399 | 0.69 | — | — | |
| SCHEMBL9505401 | 0.69 | TSHR (0.35) | — | |
| SCHEMBL936486 | 0.63 | — | — | |
| SCHEMBL22206827 | 0.61 | THRB (0.33) | — | |
| SCHEMBL407601 | 0.60 | — | — | |
| SCHEMBL8615396 | 0.60 | GRM8 (0.32) | — | |
| SCHEMBL28146626 | 0.60 | TRPA1 (0.42) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0337820-B1 | PENTAFLUOROPHENYL DERIVATIVES, METHODS OF PRODUCTION OF SUCH DERIVATIVES INCLUDING OPTICALLY ACTIVE DERIVATIVES, AND METHOD OF OPTICAL RESOLUTION OF CHIRAL CARBOXYLIC ACIDS | NIKKO KYODO CO., LTD. (JP) | 1993-07-28 | — | — | EP | claimed |
| US-5041641-A | Pentafluorophenyl derivatives, methods of production thereof, and method of optical resolution of chiral carboxylic acids | NIPPON MINING COMPANY LIMITED (JP) | 1991-08-20 | — | — | US | claimed |
| EP-0337820-A1 | Pentafluorophenyl derivatives, methods of production of such derivatives including optically active derivatives, and method of optical resolution of chiral carboxylic acids | NIKKO KYODO CO., LTD. (JP) | 1989-10-18 | — | — | EP | claimed |
| EP-0337820-B1 | PENTAFLUOROPHENYL DERIVATIVES, METHODS OF PRODUCTION OF SUCH DERIVATIVES INCLUDING OPTICALLY ACTIVE DERIVATIVES, AND METHOD OF OPTICAL RESOLUTION OF CHIRAL CARBOXYLIC ACIDS | NIKKO KYODO CO., LTD. (JP) | 1993-07-28 | — | — | EP | disclosed |
| US-5041641-A | Pentafluorophenyl derivatives, methods of production thereof, and method of optical resolution of chiral carboxylic acids | NIPPON MINING COMPANY LIMITED (JP) | 1991-08-20 | — | — | US | disclosed |
| EP-0337820-A1 | Pentafluorophenyl derivatives, methods of production of such derivatives including optically active derivatives, and method of optical resolution of chiral carboxylic acids | NIKKO KYODO CO., LTD. (JP) | 1989-10-18 | — | — | EP | disclosed |