⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7460942 | 0.89 | BRD9 (0.32) | — | |
| SCHEMBL7462607 | 0.87 | MAPT (0.30) | — | |
| SCHEMBL7459361 | 0.87 | — | — | |
| SCHEMBL7462945 | 0.86 | — | — | |
| SCHEMBL7467377 | 0.85 | — | — | |
| SCHEMBL7458532 | 0.85 | TP53 (0.31) | — | |
| SCHEMBL7454567 | 0.84 | TP53 (0.31) | — | |
| SCHEMBL7460945 | 0.84 | BRD9 (0.32) | — | |
| SCHEMBL6777028 | 0.84 | TP53 (0.30) | — | |
| SCHEMBL7463389 | 0.84 | TP53 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |