⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL37550 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL1473488 | 0.89 | — | — | |
| SCHEMBL29016180 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL28356769 | 0.89 | — | — | |
| SCHEMBL28869760 | 0.89 | TDP1 (0.42) | — | |
| SCHEMBL23319705 | 0.89 | — | — | |
| Ammonia Solution, Strong SCHEMBL2037458 | 0.89 | — | — | |
| Propane SCHEMBL27599952 | 0.84 | — | — | |
| Magnesium Chloride Anhydrous SCHEMBL28824597 | 0.77 | — | — | |
| Alcohol SCHEMBL9949362 | 0.77 | — | — |
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-117378604-A | Pesticide composition for stem and leaf treatment | 组合化学工业株式会社 | 2024-01-12 | — | — | CN | disclosed |