⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7459329 | 0.80 | HSP90AA1 (0.33) | — | |
| SCHEMBL7461603 | 0.78 | LPAR5 (0.39) | — | |
| SCHEMBL7459811 | 0.76 | LPAR5 (0.34) | — | |
| SCHEMBL7887352 | 0.74 | GSK3A (0.43) | — | |
| SCHEMBL8993528 | 0.74 | SMN1; SMN2 (0.44) | — | |
| SCHEMBL7888772 | 0.74 | GSK3A (0.40) | — | |
| SCHEMBL8700806 | 0.74 | GSK3A (0.37) | — | |
| SCHEMBL7846203 | 0.74 | GSK3A (0.37) | — | |
| SCHEMBL7458152 | 0.74 | NPC1 (0.45) | — | |
| SCHEMBL7469056 | 0.73 | LPAR5 (0.30) | — |
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 |
| 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 |