⚠ 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 SCHEMBL22467457 | 0.90 | — | — | |
| Isoxazole SCHEMBL8414240 | 0.86 | — | — | |
| Isoxazole SCHEMBL11568599 | 0.84 | — | — | |
| Isoxazole SCHEMBL1318 | 0.83 | — | — | |
| Isoxazole SCHEMBL393230 | 0.83 | — | — | |
| Isoxazole SCHEMBL2679369 | 0.83 | PARP1 (1.00) | — | |
| Isoxazole SCHEMBL442195 | 0.82 | — | — | |
| Isoxazole SCHEMBL22495126 | 0.80 | — | — | |
| Isoxazole SCHEMBL21448373 | 0.80 | — | — | |
| Isoxazole SCHEMBL1118550 | 0.80 | — | — |
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-20210054344-A1 | CPC EXOSOMES MIRNA373 COMBINATION THERAPIES | IPS HEART | 2021-02-25 | — | — | 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 |
| WO-2005082892-A2 | TRIAZOLE COMPOUNDS AS ANTIBACTERIAL AGENTS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM | DR. REDDY'S LABORATORIES LTD. (IN) | 2005-09-09 | — | — | WO | disclosed |
| US-4394510-A | Process for preparing an isoxazolylurea | ELI LILLY AND COMPANY (US) | 1983-07-19 | — | — | US | disclosed |
| EP-0057550-A1 | Process for preparing an isoxazolylurea | ELI LILLY AND COMPANY (US) | 1982-08-11 | — | — | EP | disclosed |