⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22354210 | 0.92 | — | — | |
| SCHEMBL24259630 | 0.88 | — | — | |
| SCHEMBL24259315 | 0.85 | NR1H4 (0.37) | — | |
| SCHEMBL24259658 | 0.84 | — | — | |
| SCHEMBL22354208 | 0.81 | NR1H4 (0.45) | — | |
| SCHEMBL22354337 | 0.78 | NR1H4 (0.36) | — | |
| SCHEMBL22353702 | 0.74 | HDAC1 (0.31) | — | |
| SCHEMBL22354186 | 0.74 | HDAC1 (0.33) | — | |
| SCHEMBL22354207 | 0.74 | NR1H4 (0.45) | — | |
| SCHEMBL24259595 | 0.70 | AKR1C4 (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-11713312-B2 | Substituted bicyclic compounds as farnesoid X receptor modulators | BRISTOL-MYERS SQUIBB COMPANY (US) | 2023-08-01 | — | — | US | disclosed |
| US-20220135550-A1 | SUBSTITUTED BICYCLIC COMPOUNDS AS FARNESOID X RECEPTOR MODULATORS | BRISTOL MYERS SQUIBB CO (US) | 2022-05-05 | — | — | US | disclosed |
| US-11254663-B2 | Substituted bicyclic compounds as farnesoid X receptor modulators | BRISTOL-MYERS SQUIBB COMPANY (US) | 2022-02-22 | — | — | US | disclosed |