⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20859181 | 0.71 | SHBG (0.31) | — | |
| SCHEMBL22672658 | 0.67 | — | — | |
| SCHEMBL4353635 | 0.66 | — | — | |
| SCHEMBL21220476 | 0.61 | — | — | |
| SCHEMBL20400309 | 0.61 | — | — | |
| SCHEMBL21169331 | 0.60 | — | — | |
| SCHEMBL19309608 | 0.58 | — | — | |
| SCHEMBL19309766 | 0.58 | — | — | |
| SCHEMBL12586071 | 0.58 | — | — | |
| SCHEMBL22654704 | 0.58 | — | — |
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-3233850-B1 | HYDROXY CONTAINING FXR (NR1H4) MODULATING COMPOUNDS | GILEAD SCIENCES INC (US) | 2019-04-03 | — | — | EP | disclosed |