⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20047594 | 0.88 | — | — | |
| SCHEMBL23502496 | 0.83 | PDE2A (0.31) | — | |
| SCHEMBL20049258 | 0.80 | AKR1C3 (0.31) | — | |
| SCHEMBL20043269 | 0.80 | ALOX5AP (0.34) | — | |
| SCHEMBL20048949 | 0.80 | KCNH2 (0.31) | — | |
| SCHEMBL20049246 | 0.78 | EGFR (0.33) | — | |
| SCHEMBL21161262 | 0.73 | NPC1 (0.38) | — | |
| SCHEMBL20047652 | 0.69 | ALPL (0.31) | — | |
| SCHEMBL15202835 | 0.66 | HMGCR (0.40) | — | |
| SCHEMBL20043281 | 0.66 | POLB (0.35) | — |
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-10450306-B2 | Isoxazole analogs as FXR agonists and methods of use thereof | ENANTA PHARMACEUTICALS, INC. (US) | 2019-10-22 | — | — | US | disclosed |
| US-20180099957-A1 | ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF | ENANTA PHARMACEUTICALS, INC. | 2018-04-12 | — | — | US | disclosed |