⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7468083 | 0.88 | LMNA (0.39) | — | |
| SCHEMBL7461933 | 0.85 | MAPT (0.34) | — | |
| SCHEMBL7465859 | 0.84 | MEN1 (0.30) | — | |
| SCHEMBL7460673 | 0.82 | POLB (0.33) | — | |
| SCHEMBL7457982 | 0.82 | MCHR1 (0.30) | — | |
| SCHEMBL7460879 | 0.81 | PKM (0.34) | — | |
| SCHEMBL7465593 | 0.80 | — | — | |
| SCHEMBL7454776 | 0.80 | MCHR1 (0.31) | — | |
| SCHEMBL6771342 | 0.80 | ALDH1A1 (0.31) | — | |
| SCHEMBL7459512 | 0.80 | MAPT (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-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 |