⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20043219 | 0.88 | — | — | |
| SCHEMBL21161225 | 0.87 | — | — | |
| SCHEMBL20047522 | 0.83 | — | — | |
| SCHEMBL23502459 | 0.82 | — | — | |
| SCHEMBL21161160 | 0.82 | CNR1 (0.32) | — | |
| SCHEMBL21161224 | 0.76 | NPC1 (0.32) | — | |
| SCHEMBL21161151 | 0.75 | CNR1 (0.31) | — | |
| SCHEMBL21097746 | 0.73 | CHRNB2 (0.35) | — | |
| SCHEMBL21097747 | 0.72 | — | — | |
| SCHEMBL20047523 | 0.70 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |