⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22520007 | 0.83 | — | — | |
| SCHEMBL26420045 | 0.81 | — | — | |
| SCHEMBL6640645 | 0.76 | — | — | |
| SCHEMBL29709281 | 0.76 | — | — | |
| SCHEMBL26420035 | 0.75 | S1PR4 (0.39) | — | |
| SCHEMBL25331129 | 0.73 | TRPV4 (0.31) | — | |
| SCHEMBL29574779 | 0.69 | BCAT1 (0.51) | — | |
| SCHEMBL22495523 | 0.69 | GRM4 (0.31) | — | |
| SCHEMBL10575657 | 0.69 | TP53 (0.33) | — | |
| SCHEMBL3554522 | 0.68 | CA1 (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 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 |