⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10220845 | 0.81 | ALDH1A1 (0.30) | — | |
| SCHEMBL20048890 | 0.81 | USP2 (0.30) | — | |
| SCHEMBL10220623 | 0.80 | — | — | |
| SCHEMBL10220625 | 0.77 | KDM4E (0.32) | — | |
| SCHEMBL14964127 | 0.77 | AADAT (0.34) | — | |
| SCHEMBL20047529 | 0.77 | — | — | |
| SCHEMBL10220644 | 0.75 | — | — | |
| SCHEMBL2706940 | 0.68 | PTGS2 (0.33) | — | |
| SCHEMBL1611790 | 0.67 | CA1 (0.30) | — | |
| SCHEMBL26795842 | 0.66 | — | — |
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 8 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-20200030442-A1 | COMBINATION THERAPIES | CAO ZHU ALEXANDER (US) | 2020-01-30 | — | — | 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-20180099957-A1 | ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF | ENANTA PHARMACEUTICALS, INC. | 2018-04-12 | — | — | US | disclosed |
| US-20180099957-A1 | ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF | ENANTA PHARMACEUTICALS, INC. | 2018-04-12 | — | — | US | disclosed |
| WO-2018067704-A1 | ISOXAZOLE ANALOGS AS FXR AGONISTS AND METHODS OF USE THEREOF | ENANTA PHARMACEUTICALS, INC. (US) | 2018-04-12 | — | — | WO | disclosed |
| US-20170340733-A1 | COMBINATION THERAPIES | NOVARTIS AG (CH) | 2017-11-30 | — | — | US | disclosed |
| US-7626030-B2 | Compounds and methods of use | AMGEN INC. (US) | 2009-12-01 | — | — | US | disclosed |