⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7452381 | 0.88 | PPARD (0.36) | — | |
| SCHEMBL8094563 | 0.88 | PPARG (0.30) | — | |
| SCHEMBL7469025 | 0.87 | FFAR1 (0.31) | — | |
| SCHEMBL8102659 | 0.86 | SMN1; SMN2 (0.38) | — | |
| SCHEMBL7467977 | 0.86 | — | — | |
| SCHEMBL7453439 | 0.86 | PPARG (0.30) | — | |
| SCHEMBL8344756 | 0.84 | — | — | |
| SCHEMBL7453116 | 0.84 | — | — | |
| SCHEMBL7458117 | 0.84 | POLB (0.36) | — | |
| SCHEMBL7462525 | 0.84 | TAS1R3 (0.32) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1999014216-A1 | SUBSTITUTED 3(-1,2-BENZISOTHIAZOL OR ISOXAZOL-5 YL)-SUBSTITUTED PYRIMIDINE AS HERBICIDES | AMERICAN CYANAMID COMPANY (US) | 1999-03-25 | — | — | WO | claimed |
| US-6156700-A | 3-(1,2-Benzisothiazol- and isoxazol-5-yl)-2,4(1H,3H)-pyrimidinedione or thione and 3-(1,2-benzisothiazol- and isoxazol-5-yl)-4(3H)-pyrimidinone or thione herbicidal agents | AMERICAN CYANMID COMPANY (US) | 2000-12-05 | — | — | US | disclosed |