⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29709315 | 0.89 | CYP1A2 (0.30) | — | |
| SCHEMBL28738807 | 0.89 | CYP1A2 (0.30) | — | |
| SCHEMBL29574639 | 0.87 | PDE4B (0.31) | — | |
| SCHEMBL28939739 | 0.87 | PDE4B (0.31) | — | |
| SCHEMBL22923096 | 0.83 | — | — | |
| SCHEMBL22923097 | 0.82 | — | — | |
| SCHEMBL7019278 | 0.78 | BCAT2 (0.30) | — | |
| SCHEMBL22923116 | 0.77 | — | — | |
| SCHEMBL29808429 | 0.77 | — | — | |
| SCHEMBL28736880 | 0.77 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-4003975-A1 | SUBSTITUTED N-PHENYL-N-AMINOUARCILS AND SALTS THEREOF AND USE THEREOF AS HERBICIDAL AGENTS | Bayer Aktiengesellschaft (DE) | 2022-06-01 | — | — | EP | disclosed |
| CN-114364666-A | Substituted N-phenyl-N-semicarbazides pyrimidines and salts thereof and their use as herbicides | 拜耳公司 | 2022-04-15 | — | — | CN | disclosed |