⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3096590 | 0.72 | — | — | |
| SCHEMBL5845735 | 0.72 | — | — | |
| SCHEMBL1822348 | 0.72 | — | — | |
| SCHEMBL96210 | 0.72 | — | — | |
| SCHEMBL2570837 | 0.72 | — | — | |
| SCHEMBL15057545 | 0.67 | — | — | |
| SCHEMBL4043135 | 0.65 | POLB (0.34) | — | |
| SCHEMBL2872675 | 0.65 | — | — | |
| SCHEMBL1568397 | 0.65 | — | — | |
| SCHEMBL12750978 | 0.63 | HDAC8 (0.36) | — |
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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-103172584-A | Biisoxazole methyl ether derivative and preparation method thereof | UNIV JILIN | 2013-06-26 | — | — | CN | claimed |
| EP-4558468-A2 | NITRIFICATION INHIBITING HETEROCYCLES | Corteva Agriscience LLC (US) | 2025-05-28 | — | — | EP | disclosed |
| WO-2024020529-A2 | NITRIFICATION INHIBITING HETEROCYCLES | CORTEVA AGRISCIENCE LLC (US) | 2024-01-25 | — | — | WO | disclosed |
| WO-2024020529-A2 | NITRIFICATION INHIBITING HETEROCYCLES | CORTEVA AGRISCIENCE LLC (US) | 2024-01-25 | — | — | WO | disclosed |
| CN-103172584-A | Biisoxazole methyl ether derivative and preparation method thereof | UNIV JILIN | 2013-06-26 | — | — | CN | disclosed |
| CN-101454297-B | Aryl-4-ethynyl-isoxazole derivatives | HOFFMANN LA ROCHE | 2012-10-31 | — | — | CN | disclosed |
| EP-2029559-B1 | ARYL-4-ETHYNYL-ISOXAZOLE DERIVATIVES | HOFFMANN LA ROCHE (CH) | 2009-08-05 | — | — | EP | disclosed |
| CN-101454297-A | Aryl-4-ethynyl-isoxazole derivatives | HOFFMANN LA ROCHE (CH) | 2009-06-10 | — | — | CN | disclosed |
| US-7544704-B2 | Aryl-4-ethynyl-isoxazole derivatives | HOFFMANN-LA ROCHE INC. (US) | 2009-06-09 | — | — | US | disclosed |
| EP-2029559-A1 | ARYL-4-ETHYNYL-ISOXAZOLE DERIVATIVES | F. Hoffmann-Roche AG (CH) | 2009-03-04 | — | — | EP | disclosed |
| US-20070287739-A1 | Aryl-4-ethynyl-isoxazole derivatives | F. HOFFMANN-LA ROCHE AG (CH) | 2007-12-13 | — | — | US | disclosed |
| WO-2007137954-A1 | ARYL-4-ETHYNYL-ISOXAZOLE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2007-12-06 | — | — | WO | disclosed |