⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20049507 | 1.00 | — | — | |
| SCHEMBL10044537 | 0.70 | — | — | |
| SCHEMBL26791625 | 0.68 | — | — | |
| Methane SCHEMBL8422391 | 0.68 | — | — | |
| Ammonia Solution, Strong SCHEMBL8093569 | 0.68 | — | — | |
| Hydrochloric Acid SCHEMBL27746288 | 0.67 | — | — | |
| SCHEMBL9843552 | 0.64 | — | — | |
| SCHEMBL9843457 | 0.64 | — | — | |
| SCHEMBL2995208 | 0.62 | CYP19A1 (0.39) | — | |
| SCHEMBL11880853 | 0.62 | CDK5 (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 |
|---|---|---|---|---|---|---|---|
| WO-2018081285-A1 | UREA-CONTAINING ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF | ENANTA PHARMACEUTICALS, INC. (US) | 2018-05-03 | — | — | WO | disclosed |