⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21097746 | 0.81 | CHRNB2 (0.35) | — | |
| SCHEMBL20043219 | 0.81 | — | — | |
| SCHEMBL21097747 | 0.80 | — | — | |
| SCHEMBL20047486 | 0.79 | HSD17B10 (0.38) | — | |
| SCHEMBL22672568 | 0.77 | PDE5A (0.32) | — | |
| SCHEMBL20047443 | 0.77 | ALDH1A1 (0.33) | — | |
| SCHEMBL20047402 | 0.77 | ALDH1A1 (0.36) | — | |
| SCHEMBL22672603 | 0.76 | NR1H4 (0.37) | — | |
| SCHEMBL20047427 | 0.74 | ALDH1A1 (0.32) | — | |
| SCHEMBL20047428 | 0.74 | CACNA1H (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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11034684-B2 | Isoxazole analogs as FXR agonists and methods of use thereof | ENANTA PHARMACEUTICALS, INC. (US) | 2021-06-15 | — | — | US | disclosed |
| US-10689391-B2 | Isoxazole analogs as FXR agonists and methods of use thereof | ENANTA PHARMACEUTICALS, INC. (US) | 2020-06-23 | — | — | US | disclosed |
| US-10450306-B2 | Isoxazole analogs as FXR agonists and methods of use thereof | ENANTA PHARMACEUTICALS, INC. (US) | 2019-10-22 | — | — | US | disclosed |
| US-20190194216-A1 | ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF | ENANTA PHARMACEUTICALS, INC. | 2019-06-27 | — | — | US | disclosed |
| US-20180099957-A1 | ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF | ENANTA PHARMACEUTICALS, INC. | 2018-04-12 | — | — | US | disclosed |