⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22496048 | 0.73 | TSHR (0.38) | — | |
| SCHEMBL28508383 | 0.72 | S1PR3 (0.34) | — | |
| SCHEMBL22496037 | 0.64 | ALDH1A1 (0.54) | — | |
| SCHEMBL22496063 | 0.63 | ALDH1A1 (0.40) | — | |
| SCHEMBL22496031 | 0.63 | SMN1; SMN2 (0.37) | — | |
| SCHEMBL21807806 | 0.62 | ALDH1A1 (0.51) | — | |
| SCHEMBL22807098 | 0.62 | ALDH1A1 (0.48) | — | |
| SCHEMBL28924739 | 0.62 | KMT2A (0.43) | — | |
| SCHEMBL28514866 | 0.60 | KMT2A (0.36) | — | |
| SCHEMBL16492643 | 0.60 | LRRK2 (0.36) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3728240-B1 | ISOXAZOLE O-LINKED CARBAMOYL CYCLOHEXYL ACIDS AS LPA ANTAGONISTS | BRISTOL MYERS SQUIBB CO (US) | 2022-06-29 | — | — | EP | disclosed |
| US-11180488-B2 | Isoxazole o-linked carbamoyl cyclohexyl acids as LPA antagonists | BRISTOL MYERS SQUIBB CO (US) | 2021-11-23 | — | — | US | disclosed |
| EP-3728240-A1 | ISOXAZOLE O-LINKED CARBAMOYL CYCLOHEXYL ACIDS AS LPA ANTAGONISTS | Bristol-Myers Squibb Company (US) | 2020-10-28 | — | — | EP | disclosed |
| US-20200317655-A1 | ISOXAZOLE O-LINKED CARBAMOYL CYCLOHEXYL ACIDS AS LPA ANTAGONISTS | BRISTOL MYERS SQUIBB CO (US) | 2020-10-08 | — | — | US | disclosed |