⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22105359 | 0.88 | — | — | |
| SCHEMBL20048887 | 0.80 | — | — | |
| SCHEMBL23323152 | 0.78 | — | — | |
| SCHEMBL24269490 | 0.76 | — | — | |
| SCHEMBL23859743 | 0.72 | ITGB3 (0.33) | — | |
| SCHEMBL22511920 | 0.70 | USP2 (0.31) | — | |
| SCHEMBL22667775 | 0.69 | — | — | |
| SCHEMBL17892039 | 0.69 | — | — | |
| SCHEMBL20627352 | 0.69 | — | — | |
| SCHEMBL23859711 | 0.69 | GRM5 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20220177479-A1 | NOVEL SUBSTITUTED XANTHINE DERIVATIVES | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2022-06-09 | — | — | US | disclosed |
| WO-2018081285-A1 | UREA-CONTAINING ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF | ENANTA PHARMACEUTICALS, INC. (US) | 2018-05-03 | — | — | WO | disclosed |