⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20153366 | 0.85 | — | — | |
| SCHEMBL19954860 | 0.85 | — | — | |
| SCHEMBL8275373 | 0.84 | — | — | |
| SCHEMBL12181529 | 0.76 | CYP3A4 (0.32) | — | |
| SCHEMBL21742159 | 0.76 | CYP3A4 (0.32) | — | |
| SCHEMBL8093135 | 0.73 | — | — | |
| SCHEMBL21205315 | 0.70 | ALDH1A1 (0.33) | — | |
| SCHEMBL19826896 | 0.67 | — | — | |
| SCHEMBL21088073 | 0.67 | — | — | |
| SCHEMBL20323285 | 0.67 | — | — |
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-3704113-B1 | BRIDGED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS | BRISTOL MYERS SQUIBB CO (US) | 2023-10-11 | — | — | EP | disclosed |
| WO-2018089360-A1 | PYRROLE AMIDES AS ALPHA V INTEGRIN INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2018-05-17 | — | — | WO | disclosed |
| WO-2018089358-A1 | AZOLE AMIDES AND AMINES AS ALPHA V INTEGRIN INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2018-05-17 | — | — | WO | disclosed |