⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8129706 | 0.86 | — | — | |
| SCHEMBL8137614 | 0.86 | — | — | |
| SCHEMBL8140021 | 0.84 | BCAT2 (0.35) | — | |
| SCHEMBL8129510 | 0.83 | ALDH1A1 (0.34) | — | |
| SCHEMBL8129396 | 0.81 | PDE4B (0.36) | — | |
| SCHEMBL7894085 | 0.81 | PPOX (0.40) | — | |
| SCHEMBL7901519 | 0.80 | GAA (0.33) | — | |
| SCHEMBL7894197 | 0.79 | BCAT2 (0.33) | — | |
| SCHEMBL7901426 | 0.79 | MCL1 (0.32) | — | |
| SCHEMBL8122021 | 0.79 | MCL1 (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6165942-A | Heterocycle-fused pyrimidinone derivative and herbicidal composition | NISSAN CHEMICAL INDUSTRIES, LTD. (JP) | 2000-12-26 | — | — | US | disclosed |
| EP-0970958-A1 | HETEROCYCLE-FUSED PYRIMIDINONE DERIVATIVES AND HERBICIDES | NISSAN CHEMICAL INDUSTRIES, LIMITED (JP) | 2000-01-12 | — | — | EP | disclosed |