⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3240853 | 1.00 | — | — | |
| SCHEMBL4171814 | 0.87 | KCNH2 (0.48) | — | |
| SCHEMBL3079246 | 0.85 | CYP1A2 (0.47) | — | |
| SCHEMBL655646 | 0.85 | KCNH2 (0.57) | — | |
| SCHEMBL15573512 | 0.84 | KCNH2 (0.60) | — | |
| SCHEMBL22307320 | 0.84 | KCNH2 (0.60) | — | |
| SCHEMBL22308558 | 0.84 | KCNH2 (0.60) | — | |
| SCHEMBL18596775 | 0.84 | KCNH2 (0.60) | — | |
| SCHEMBL482984 | 0.84 | KCNH2 (0.60) | — | |
| SCHEMBL27678206 | 0.84 | KCNH2 (0.60) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2025025941-A1 | SUBSTITUTED NITROGEN-CONTAINING HETEROCYCLIC CARBOXYLATE ESTER COMPOUND, AND PREPARATION METHOD THEREFOR, HERBICIDAL COMPOSITION AND USE THEREOF | 青岛清原化合物有限公司 | 2025-02-06 | — | — | WO | disclosed |