⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8398721 | 0.75 | ALDH1A1 (0.39) | — | |
| SCHEMBL8397526 | 0.73 | ALDH1A1 (0.40) | — | |
| SCHEMBL9505367 | 0.71 | ALDH1A1 (0.44) | — | |
| SCHEMBL9505376 | 0.71 | ALDH1A1 (0.44) | — | |
| SCHEMBL3883003 | 0.70 | CA2 (0.32) | — | |
| SCHEMBL9508802 | 0.70 | — | — | |
| SCHEMBL8394025 | 0.69 | SHBG (0.34) | — | |
| SCHEMBL9506595 | 0.68 | — | — | |
| SCHEMBL28598456 | 0.67 | CA1 (0.32) | — | |
| SCHEMBL8397529 | 0.67 | SHBG (0.31) | — |
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 3 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 | 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 |