⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20043224 | 0.85 | LCK (0.33) | — | |
| SCHEMBL20043221 | 0.81 | CA2 (0.32) | — | |
| SCHEMBL23502534 | 0.81 | — | — | |
| SCHEMBL23502523 | 0.80 | — | — | |
| SCHEMBL23502461 | 0.75 | — | — | |
| SCHEMBL23502449 | 0.73 | NR1H2 (0.33) | — | |
| SCHEMBL20047453 | 0.72 | KDM4E (0.32) | — | |
| SCHEMBL20047605 | 0.72 | CA2 (0.30) | — | |
| SCHEMBL23502470 | 0.68 | CNR2 (0.40) | — | |
| SCHEMBL20047455 | 0.68 | KCNH2 (0.33) | — |
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 |