⚠ 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 | |
|---|---|---|---|---|
| Isoxazole SCHEMBL442195 | 0.92 | — | — | |
| Isoxazole SCHEMBL22467457 | 0.90 | — | — | |
| Isoxazole SCHEMBL8414240 | 0.86 | — | — | |
| Isoxazole SCHEMBL9196311 | 0.86 | PARP1 (0.56) | — | |
| Isoxazole SCHEMBL6504498 | 0.84 | — | — | |
| Isoxazole SCHEMBL28930409 | 0.84 | — | — | |
| Isoxazole SCHEMBL28926974 | 0.83 | — | — | |
| Isoxazole SCHEMBL27586002 | 0.83 | — | — | |
| Isoxazole SCHEMBL2679369 | 0.83 | PARP1 (1.00) | — | |
| Isoxazole SCHEMBL1318 | 0.83 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20210054344-A1 | CPC EXOSOMES MIRNA373 COMBINATION THERAPIES | IPS HEART | 2021-02-25 | — | — | US | disclosed |
| CN-109796412-B | 5- (tetra-substituted alkenyl) -3, 5-dihydro-4H-imidazole-3-ketone derivative and synthesis method and application thereof | 暨南大学 | 2020-12-04 | — | — | CN | disclosed |
| US-10597391-B2 | Urea-containing isoxazole derivatives as FXR agonists and methods of use thereof | ENANTA PHARMACEUTICALS, INC. (US) | 2020-03-24 | — | — | US | disclosed |
| US-10443044-B2 | Generating cardiac progenitor cells from pluripotent stem cells using isoxazole or isoxazole like compounds | IPS HEART (US) | 2019-10-15 | — | — | US | disclosed |
| US-20180141941-A1 | UREA-CONTAINING ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF | ENANTA PHARMACEUTICALS, INC. | 2018-05-24 | — | — | US | disclosed |
| WO-2018081285-A1 | UREA-CONTAINING ISOXAZOLE DERIVATIVES AS FXR AGONISTS AND METHODS OF USE THEREOF | ENANTA PHARMACEUTICALS, INC. (US) | 2018-05-03 | — | — | WO | disclosed |
| CN-1544420-A | Inhibition of raf kinase using substituted heterocyclic ureas | — | 2004-11-10 | — | — | CN | disclosed |
| CN-1149085-C | Inhibition of RAF kinase with substituted heterocyclic ureas | — | 2004-05-12 | — | — | CN | disclosed |
| CN-1290164-A | Inhibition of RAF kinase with substituted heterocyclic ureas | BAYER AG (US) | 2001-04-04 | — | — | CN | disclosed |
| EP-0002881-A1 | 5-Isoxazolylurea derivatives, their preparation, their use and compositions containing them | FISONS plc (GB) | 1979-07-11 | — | — | EP | disclosed |