⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7462662 | 0.91 | — | — | |
| SCHEMBL7556992 | 0.90 | NPC1 (0.30) | — | |
| SCHEMBL7454714 | 0.90 | — | — | |
| SCHEMBL7458284 | 0.90 | — | — | |
| SCHEMBL7467058 | 0.89 | — | — | |
| SCHEMBL7464232 | 0.88 | SCN5A (0.30) | — | |
| SCHEMBL7464843 | 0.86 | — | — | |
| SCHEMBL7459240 | 0.85 | PTPN1 (0.31) | — | |
| SCHEMBL7458705 | 0.85 | — | — | |
| SCHEMBL7469221 | 0.82 | KMT2A (0.33) | — |
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-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 | claimed |