⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20844039 | 0.74 | — | — | |
| SCHEMBL21737286 | 0.72 | — | — | |
| SCHEMBL12767136 | 0.69 | CYP1A2 (0.31) | — | |
| SCHEMBL765340 | 0.69 | — | — | |
| SCHEMBL21718760 | 0.69 | ALDH1A1 (0.30) | — | |
| SCHEMBL21720002 | 0.69 | — | — | |
| SCHEMBL19367806 | 0.65 | — | — | |
| SCHEMBL21715632 | 0.65 | — | — | |
| SCHEMBL12858924 | 0.65 | — | — | |
| SCHEMBL8140686 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-118745165-A | C-N coupling method and method for preparing dimethenamid S configuration by using C-N coupling | 山东京博农化科技股份有限公司 | 2024-10-08 | — | — | CN | disclosed |