⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL41154 | 0.95 | — | — | |
| Ammonia Solution, Strong SCHEMBL27304734 | 0.91 | — | — | |
| Dimethylamine SCHEMBL28870842 | 0.91 | — | — | |
| SCHEMBL28282445 | 0.91 | — | — | |
| Bromide SCHEMBL1730618 | 0.91 | — | — | |
| Methyl Alcohol SCHEMBL7530432 | 0.91 | — | — | |
| Hydrochloric Acid SCHEMBL1551111 | 0.91 | — | — | |
| Hydrogen Sulfide SCHEMBL87829 | 0.91 | — | — | |
| SCHEMBL28210644 | 0.91 | — | — | |
| SCHEMBL28196109 | 0.91 | — | — |
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-106488914-B | Tool with sulfur-bearing substituent group kills harmful organism active heterocycles derivative | 先正达参股股份有限公司 | 2019-05-14 | — | — | CN | disclosed |