⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7448 | 0.95 | — | — | |
| Ammonia Solution, Strong SCHEMBL27514837 | 0.90 | — | — | |
| SCHEMBL27830009 | 0.90 | — | — | |
| Hydrochloric Acid SCHEMBL9369310 | 0.86 | — | — | |
| Acetonitrile SCHEMBL28298802 | 0.86 | — | — | |
| Iodide SCHEMBL7170762 | 0.86 | — | — | |
| Cyanide SCHEMBL6870584 | 0.86 | — | — | |
| SCHEMBL9640953 | 0.82 | — | — | |
| Potassium Ion SCHEMBL7410697 | 0.82 | — | — | |
| SCHEMBL27940404 | 0.82 | — | — |
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-107849027-B | Pesticidally active 1,2, 4-triazole derivatives with sulphur-containing substituents | 先正达参股股份有限公司 | 2021-03-12 | — | — | CN | disclosed |