⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7453392 | 0.90 | — | — | |
| SCHEMBL7457999 | 0.85 | AGER (0.30) | — | |
| SCHEMBL7466715 | 0.85 | BRD9 (0.33) | — | |
| SCHEMBL7453836 | 0.85 | PKM (0.39) | — | |
| SCHEMBL7458483 | 0.83 | PDE2A (0.31) | — | |
| SCHEMBL7461757 | 0.83 | — | — | |
| SCHEMBL7461747 | 0.83 | — | — | |
| SCHEMBL7468228 | 0.82 | — | — | |
| SCHEMBL7458018 | 0.81 | PIK3CD (0.34) | — | |
| SCHEMBL7459552 | 0.81 | BCAT2 (0.44) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0908457-B1 | 3-(1,2-benzisothiazol- and isoxazol-5-Y1)-2,4(1H,3H)-pyrimidinedione or thione and 3-(1,2-benzisothiazol- and isoxazol-5-y1)-4(3H)-pyrimidinone or thione herbicidal agents | BASF AG (DE) | 2002-11-13 | — | — | EP | disclosed |
| US-6355796-B1 | REACTING BETA-AMINO-BETA-(PERFLUOROALKYL)ACRYLATE COMPOUND WITH BASE AND CARBAMOYL CHLORIDE COMPOUND TO FORM UREA COMPOUND, REACTING UREA COMPOUND WITH PHOSPHORUS PENTAHALIDE OR OXALYL HALIDE | BASF AKTIENGESELLSCHAFT (DE) | 2002-03-12 | — | — | US | disclosed |
| 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 |
| EP-0908457-A1 | 3-(1,2-benzisothiazol- and isoxazol-5-Y1)-2,4(1H,3H)-pyrimidinedione or thione and 3-(1,2-benzisothiazol- and isoxazol-5-y1)-4(3H)-pyrimidinone or thione herbicidal agents | American Cyanamid Company (US) | 1999-04-14 | — | — | EP | disclosed |