⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7467857 | 0.88 | TP53 (0.31) | — | |
| SCHEMBL7459896 | 0.85 | PTGER1 (0.33) | — | |
| SCHEMBL7458532 | 0.82 | TP53 (0.31) | — | |
| SCHEMBL7463389 | 0.81 | TP53 (0.30) | — | |
| Trifluoromethanesulfonic Acid SCHEMBL7468955 | 0.81 | PTGER1 (0.31) | — | |
| SCHEMBL7462598 | 0.79 | NT5E (0.34) | — | |
| SCHEMBL7458398 | 0.79 | ALPL (0.39) | — | |
| SCHEMBL7462316 | 0.79 | ALDH1A1 (0.33) | — | |
| SCHEMBL7459361 | 0.78 | — | — | |
| SCHEMBL6772344 | 0.78 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |