⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10633019 | 0.80 | MEN1 (0.33) | — | |
| SCHEMBL9699643 | 0.80 | MEN1 (0.30) | — | |
| SCHEMBL9813441 | 0.71 | MEN1 (0.38) | — | |
| SCHEMBL9768485 | 0.71 | MEN1 (0.38) | — | |
| SCHEMBL24074493 | 0.69 | IDO1 (0.45) | — | |
| SCHEMBL4521924 | 0.68 | PREP (0.42) | — | |
| SCHEMBL31073335 | 0.67 | PPARG (0.36) | — | |
| SCHEMBL31725186 | 0.67 | PPARG (0.36) | — | |
| SCHEMBL31073063 | 0.67 | PPARG (0.36) | — | |
| SCHEMBL10633026 | 0.67 | — | — |
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-0297768-B1 | ARYLTHIOALKYLPHENYL CARBOXYLIC ACIDS, COMPOSITIONS CONTAINING SAME AND METHOD OF USE | E.R. Squibb & Sons, Inc. (US) | 1991-07-24 | — | — | EP | disclosed |
| EP-0297768-A1 | Arylthioalkylphenyl carboxylic acids, compositions containing same and method of use | E.R. Squibb & Sons, Inc. (US) | 1989-01-04 | — | — | EP | disclosed |