⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4268159 | 0.70 | — | — | |
| SCHEMBL14010592 | 0.70 | — | — | |
| SCHEMBL2478250 | 0.64 | CYP1A2 (0.31) | — | |
| SCHEMBL2479855 | 0.64 | CYP1A2 (0.31) | — | |
| SCHEMBL11683027 | 0.63 | TSHR (0.33) | — | |
| SCHEMBL4274525 | 0.63 | — | — | |
| SCHEMBL393554 | 0.63 | — | — | |
| SCHEMBL2972555 | 0.62 | CYP1A2 (0.35) | — | |
| SCHEMBL3237171 | 0.61 | AOC3 (0.46) | — | |
| SCHEMBL4268073 | 0.61 | — | — |
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-6107252-A | 1-((3-AMINOSULFONYL,4-CYANO,6-SUBSTITUTED PHENYL)-),3,4,5-SUBSTITUTED-1,2,3,6-TETRAHYDROPYRIMIDIN-2,6-DIONE COMPOUNDS; HERBICIDAL ACTIVITY AND AT THE SAME TIME COMPATIBILITY WITH CROP PLANTS | BAYER AKTIENGESELLSCHAFT (DE) | 2000-08-22 | — | — | US | disclosed |