⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22495525 | 0.92 | — | — | |
| SCHEMBL29527645 | 0.92 | — | — | |
| SCHEMBL24244308 | 0.92 | — | — | |
| SCHEMBL26420079 | 0.87 | ALDH1A1 (0.32) | — | |
| SCHEMBL26420149 | 0.85 | — | — | |
| SCHEMBL22520026 | 0.85 | POLB (0.36) | — | |
| SCHEMBL24241955 | 0.85 | SLC22A12 (0.31) | — | |
| SCHEMBL24241972 | 0.84 | — | — | |
| SCHEMBL7253052 | 0.84 | MEN1 (0.32) | — | |
| SCHEMBL26420157 | 0.83 | THRB (0.31) | — |
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-20230131260-A1 | SUBSTITUTED THIOPHENYL URACILS, SALTS THEREOF AND THE USE THEREOF AS HERBICIDAL AGENTS | SYNGENTA CROP PROTECTION AG (CH) | 2023-04-27 | — | — | US | disclosed |