⚠ 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 | |
|---|---|---|---|---|
| Hydrogen Peroxide SCHEMBL11793831 | 0.93 | — | — | |
| Fluoride SCHEMBL28310400 | 0.93 | — | — | |
| SCHEMBL10001930 | 0.93 | CA12 (0.45) | — | |
| SCHEMBL20614479 | 0.93 | CA12 (0.45) | — | |
| SCHEMBL1221354 | 0.93 | — | — | |
| SCHEMBL8136165 | 0.93 | — | — | |
| SCHEMBL2123718 | 0.93 | CA12 (0.45) | — | |
| SCHEMBL4622 | 0.93 | — | — | |
| Hydroxyamine SCHEMBL19209700 | 0.90 | — | — | |
| SCHEMBL24525605 | 0.90 | SMN1; SMN2 (0.43) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116514848-A | Nitrogen-containing heterocyclic compound, and preparation method and application thereof | 上海璎黎药业有限公司 | 2023-08-01 | — | — | CN | disclosed |
| CN-113024413-B | Synthesis method of salicylonitrile co-produced plant growth regulator | 北京颖泰嘉和生物科技股份有限公司 | 2022-12-06 | — | — | CN | disclosed |
| CN-113024413-A | Synthesis method of salicylonitrile co-produced plant growth regulator | 北京颖泰嘉和生物科技股份有限公司 | 2021-06-25 | — | — | CN | disclosed |