⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17732752 | 0.80 | — | — | |
| SCHEMBL12345411 | 0.75 | — | — | |
| SCHEMBL12425574 | 0.63 | — | — | |
| SCHEMBL19497340 | 0.62 | — | — | |
| SCHEMBL17732715 | 0.57 | — | — | |
| SCHEMBL18403449 | 0.56 | — | — | |
| SCHEMBL9763011 | 0.56 | — | — | |
| SCHEMBL2292933 | 0.55 | — | — | |
| SCHEMBL13862475 | 0.55 | — | — | |
| SCHEMBL1747863 | 0.54 | GLI1 (0.31) | — |
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 |