⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9451924 | 0.86 | ALDH1A1 (0.32) | — | |
| SCHEMBL1661546 | 0.83 | — | — | |
| SCHEMBL4502800 | 0.81 | TAAR1 (0.30) | — | |
| SCHEMBL4129624 | 0.80 | TDP1 (0.32) | — | |
| SCHEMBL18817927 | 0.78 | ALDH1A1 (0.34) | — | |
| SCHEMBL4625369 | 0.78 | TYR (0.36) | — | |
| SCHEMBL1510220 | 0.77 | NPSR1 (0.53) | — | |
| SCHEMBL6365688 | 0.77 | IAPP (0.42) | — | |
| SCHEMBL6271213 | 0.77 | KDM4E (0.34) | — | |
| SCHEMBL28645580 | 0.76 | ALDH1A1 (0.40) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6004988-A | Carboxylic acid derivatives, their preparation and their use | BASF AKTIENGESELLSCHAFT (DE) | 1999-12-21 | — | — | US | disclosed |