⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7459090 | 0.90 | — | — | |
| SCHEMBL7465628 | 0.86 | PIM1 (0.32) | — | |
| SCHEMBL7456319 | 0.85 | — | — | |
| SCHEMBL7461878 | 0.85 | AKR1B1 (0.35) | — | |
| SCHEMBL7460223 | 0.84 | POLB (0.32) | — | |
| SCHEMBL6771342 | 0.83 | ALDH1A1 (0.31) | — | |
| SCHEMBL7462956 | 0.83 | CMA1 (0.31) | — | |
| SCHEMBL7457439 | 0.83 | CMA1 (0.31) | — | |
| SCHEMBL7463088 | 0.82 | — | — | |
| SCHEMBL7463061 | 0.82 | ALDH1A1 (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 |
|---|---|---|---|---|---|---|---|
| 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-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 |