⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28606 | 0.69 | TYMP (0.31) | — | |
| SCHEMBL5850873 | 0.69 | DAO (0.32) | — | |
| SCHEMBL31509626 | 0.67 | — | — | |
| SCHEMBL210023 | 0.67 | — | — | |
| Water SCHEMBL2798016 | 0.67 | — | — | |
| SCHEMBL909537 | 0.67 | — | — | |
| SCHEMBL10161341 | 0.65 | DAO (0.31) | — | |
| SCHEMBL9319625 | 0.65 | — | — | |
| SCHEMBL31672123 | 0.65 | — | — | |
| SCHEMBL30094383 | 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-117042610-A | Herbicide composition | UPL有限责任公司 | 2023-11-10 | — | — | CN | disclosed |