⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10724304 | 0.81 | TSHR (0.46) | — | |
| SCHEMBL16608347 | 0.78 | — | — | |
| SCHEMBL23731159 | 0.74 | — | — | |
| SCHEMBL24595087 | 0.74 | — | — | |
| SCHEMBL8923525 | 0.72 | — | — | |
| SCHEMBL9378907 | 0.72 | TSHR (0.32) | — | |
| SCHEMBL19187723 | 0.72 | TSHR (0.32) | — | |
| SCHEMBL17428752 | 0.72 | TSHR (0.32) | — | |
| SCHEMBL14648541 | 0.71 | — | — | |
| SCHEMBL31129154 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3504205-B1 | HORMONE RECEPTOR MODULATORS FOR TREATING METABOLIC CONDITIONS AND DISORDERS | ARDELYX INC (US) | 2021-08-04 | — | — | EP | disclosed |
| EP-3632910-A1 | LACTAM COMPOUND AS FXR RECEPTOR AGONIST | Medshine Discovery Inc. (CN) | 2020-04-08 | — | — | EP | disclosed |
| WO-2018075207-A1 | HETEROCYCLIC FXR MODULATORS | HEPAGENE THERAPEUTICS, INC. (VG) | 2018-04-26 | — | — | WO | disclosed |