⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11070990 | 0.79 | TSHR (0.40) | — | |
| SCHEMBL5069895 | 0.75 | — | — | |
| SCHEMBL2372061 | 0.73 | — | — | |
| SCHEMBL4655169 | 0.69 | TSHR (0.33) | — | |
| SCHEMBL6078609 | 0.69 | LMNA (0.32) | — | |
| SCHEMBL16426476 | 0.69 | — | — | |
| SCHEMBL16166412 | 0.69 | — | — | |
| SCHEMBL38447 | 0.67 | — | — | |
| SCHEMBL4594441 | 0.65 | — | — | |
| SCHEMBL18968282 | 0.65 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102408327-A | Phenylacetic acid compounds | DAICEL CHEM | 2012-04-11 | — | — | CN | disclosed |
| EP-0351352-B1 | 2-Substituted ergolines, their preparation and use | SCHERING AG (DE) | 1995-03-08 | — | — | EP | disclosed |
| EP-0609587-A2 | Compositions of iodophenoxy alkanes and iodophenyl ethers in film-forming materials for visualization of the gastrointestinal tract | NYCOMED IMAGING AS (NO) | 1994-08-10 | — | — | EP | disclosed |
| EP-0351352-A2 | 2-Substituted ergolines, their preparation and use | SCHERING AKTIENGESELLSCHAFT (DE) | 1990-01-17 | — | — | EP | disclosed |
| EP-0140154-B1 | 1,2,4-TRIAZOLYLPROPANOLS, AND THEIR PRODUCTION AND USE | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 1989-02-22 | — | — | EP | disclosed |
| EP-0086826-A4 | ALPHA-BRANCHED ALKYLTHIOPHOSPHATE PESTICIDES. | FMC CORP (US) | 1983-12-23 | — | — | EP | disclosed |
| EP-0086826-A1 | ALPHA-BRANCHED ALKYLTHIOPHOSPHATE PESTICIDES. | FMC CORP (US) | 1983-08-31 | — | — | EP | disclosed |
| WO-1983000870-A1 | ALPHA-BRANCHED ALKYLTHIOPHOSPHATE PESTICIDES | FMC CORP (US) | 1983-03-17 | — | — | WO | disclosed |