⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20154290 | 0.85 | — | — | |
| SCHEMBL19954860 | 0.83 | — | — | |
| SCHEMBL24096455 | 0.80 | — | — | |
| SCHEMBL20323285 | 0.76 | — | — | |
| SCHEMBL20274369 | 0.72 | — | — | |
| SCHEMBL22016412 | 0.72 | — | — | |
| SCHEMBL8093135 | 0.72 | — | — | |
| SCHEMBL12181529 | 0.71 | CYP3A4 (0.32) | — | |
| SCHEMBL21742159 | 0.71 | CYP3A4 (0.32) | — | |
| SCHEMBL15043674 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3728224-B1 | CYCLOHEXYL ACID TRIAZOLE AZOLES AS LPA ANTAGONISTS | BRISTOL MYERS SQUIBB CO (US) | 2023-01-11 | — | — | EP | disclosed |
| EP-3727589-B1 | CYCLOHEXYL ACID PYRAZOLE AZOLES AS LPA ANTAGONISTS | BRISTOL MYERS SQUIBB CO (US) | 2022-06-29 | — | — | EP | disclosed |
| EP-3728240-B1 | ISOXAZOLE O-LINKED CARBAMOYL CYCLOHEXYL ACIDS AS LPA ANTAGONISTS | BRISTOL MYERS SQUIBB CO (US) | 2022-06-29 | — | — | EP | disclosed |
| EP-3538525-B1 | 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2022-06-22 | — | — | EP | disclosed |
| EP-4011875-A1 | TRIAZOLE N-LINKED CARBAMOYL CYCLOHEXYL ACIDS AS LPA ANTAGONISTS | Bristol-Myers Squibb Company (US) | 2022-06-15 | — | — | EP | disclosed |
| EP-3538528-B1 | PYRROLE AMIDES AS ALPHA V INTEGRIN INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2020-12-23 | — | — | EP | disclosed |
| WO-2018089353-A1 | 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2018-05-17 | — | — | WO | disclosed |
| WO-2018089357-A1 | INDAZOLE DERIVATIVES AS αV INTEGRIN ANTAGONISTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2018-05-17 | — | — | WO | disclosed |