⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16782403 | 0.76 | ALDH1A1 (0.42) | — | |
| SCHEMBL171934 | 0.74 | ALDH1A1 (0.42) | — | |
| SCHEMBL22359864 | 0.71 | HRH3 (0.41) | — | |
| SCHEMBL21792294 | 0.69 | TYR (0.38) | — | |
| SCHEMBL20852278 | 0.69 | TAAR1 (0.39) | — | |
| SCHEMBL22359687 | 0.68 | ADRB2 (0.42) | — | |
| SCHEMBL22359670 | 0.67 | MAPT (0.43) | — | |
| SCHEMBL4304154 | 0.66 | ALDH1A1 (0.58) | — | |
| SCHEMBL19674446 | 0.63 | CYP2E1 (0.30) | — | |
| SCHEMBL14981502 | 0.61 | CYP3A4 (0.42) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3277286-B1 | BILE ACID DERIVATIVES AS FXR/TGR5 AGONISTS AND METHODS OF USE THEREOF | ENANTA PHARM INC (US) | 2021-04-21 | — | — | EP | disclosed |