⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22576659 | 1.00 | — | — | |
| SCHEMBL22576692 | 1.00 | — | — | |
| SCHEMBL15934064 | 0.79 | MAPT (0.33) | — | |
| SCHEMBL15932004 | 0.78 | GPR119 (0.32) | — | |
| SCHEMBL8006674 | 0.69 | — | — | |
| SCHEMBL14153148 | 0.68 | S1PR1 (0.57) | — | |
| SCHEMBL14059920 | 0.66 | NPC1 (0.41) | — | |
| SCHEMBL28281747 | 0.65 | — | — | |
| SCHEMBL23734151 | 0.63 | ELANE (0.38) | — | |
| SCHEMBL13539117 | 0.61 | MAPT (0.31) | — |
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-111712492-B | Cyclotriazoles as LPA antagonists | 百时美施贵宝公司 | 2024-05-31 | — | — | CN | disclosed |
| EP-3728224-B1 | CYCLOHEXYL ACID TRIAZOLE AZOLES AS LPA ANTAGONISTS | BRISTOL MYERS SQUIBB CO (US) | 2023-01-11 | — | — | EP | disclosed |
| EP-3728224-B1 | CYCLOHEXYL ACID TRIAZOLE AZOLES AS LPA ANTAGONISTS | BRISTOL MYERS SQUIBB CO (US) | 2023-01-11 | — | — | EP | disclosed |
| US-11319315-B2 | Cyclohexyl acid triazole azoles as LPA antagonists | BRISTOL-MYERS SQUIBB COMPANY (US) | 2022-05-03 | — | — | US | disclosed |
| US-11319315-B2 | Cyclohexyl acid triazole azoles as LPA antagonists | BRISTOL-MYERS SQUIBB COMPANY (US) | 2022-05-03 | — | — | US | disclosed |
| US-20210163470-A1 | CYCLOHEXYL ACID TRIAZOLE AZOLES AS LPA ANTAGONISTS | BRISTOL MYERS SQUIBB CO (US) | 2021-06-03 | — | — | US | disclosed |
| US-20210163470-A1 | CYCLOHEXYL ACID TRIAZOLE AZOLES AS LPA ANTAGONISTS | BRISTOL MYERS SQUIBB CO (US) | 2021-06-03 | — | — | US | disclosed |
| CN-111712492-A | Cyclohexaneacetic acid triazolazoles as LPA antagonists | 百时美施贵宝公司 | 2020-09-25 | — | — | CN | disclosed |