⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27293304 | 0.76 | GPR84 (0.49) | — | |
| SCHEMBL31369337 | 0.75 | GABRA1 (0.39) | — | |
| SCHEMBL12673823 | 0.74 | — | — | |
| SCHEMBL9394087 | 0.73 | — | — | |
| SCHEMBL668146 | 0.72 | — | — | |
| SCHEMBL319464 | 0.72 | — | — | |
| SCHEMBL21737116 | 0.70 | — | — | |
| SCHEMBL3339715 | 0.70 | — | — | |
| SCHEMBL21042229 | 0.70 | — | — | |
| SCHEMBL21737072 | 0.70 | — | — |
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-3727589-B1 | CYCLOHEXYL ACID PYRAZOLE AZOLES AS LPA ANTAGONISTS | BRISTOL MYERS SQUIBB CO (US) | 2022-06-29 | — | — | EP | disclosed |
| US-11352345-B2 | Cyclohexyl acid pyrazole azoles as LPA antagonists | BRISTOL-MYERS SQUIBB COMPANY (US) | 2022-06-07 | — | — | US | disclosed |
| US-11261180-B2 | Cyclohexyl acid isoxazole azoles as LPA antagonists | BRISTOL-MYERS SQUIBB COMPANY (US) | 2022-03-01 | — | — | US | disclosed |