⚠ 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 | |
|---|---|---|---|---|
| Water SCHEMBL29518359 | 0.89 | — | — | |
| SCHEMBL242413 | 0.89 | — | — | |
| SCHEMBL6181820 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL7225747 | 0.81 | TDP1 (0.41) | — | |
| SCHEMBL28682804 | 0.73 | TDP1 (0.35) | — | |
| Water SCHEMBL9222072 | 0.72 | KDM4E (0.50) | — | |
| Water SCHEMBL9222076 | 0.72 | — | — | |
| Acetonitrile SCHEMBL7436103 | 0.71 | — | — | |
| Acetone SCHEMBL1248704 | 0.71 | — | — | |
| Dimethylamine SCHEMBL27641365 | 0.71 | — | — |
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-104803982-A | Method for preparing nicosulfuron | ANHUI JUKAI AGROCHEMICAL CO LTD | 2015-07-29 | — | — | CN | disclosed |