⚠ 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 | |
|---|---|---|---|---|
| Butadiene SCHEMBL692753 | 0.78 | — | — | |
| Vinyl Chloride SCHEMBL4938267 | 0.75 | — | — | |
| Nitrous Acid SCHEMBL28246268 | 0.75 | — | — | |
| Propene SCHEMBL27593070 | 0.75 | — | — | |
| Nitrous Acid SCHEMBL28854632 | 0.75 | — | — | |
| Butadiene SCHEMBL15551549 | 0.75 | — | — | |
| Allylamine SCHEMBL5708428 | 0.74 | — | — | |
| Nitrous Acid SCHEMBL2381719 | 0.71 | — | — | |
| Nitrous Acid SCHEMBL2213450 | 0.71 | — | — | |
| Nitrous Acid SCHEMBL8612516 | 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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113754883-B | Polyenamine nitrile compound and preparation method thereof | 华南理工大学 | 2022-10-21 | — | — | CN | disclosed |
| CN-113754883-B | Polyenamine nitrile compound and preparation method thereof | 华南理工大学 | 2022-10-21 | — | — | CN | disclosed |
| CN-113754883-A | Polyenamine nitrile compound and preparation method thereof | 华南理工大学 | 2021-12-07 | — | — | CN | disclosed |
| CN-113754883-A | Polyenamine nitrile compound and preparation method thereof | 华南理工大学 | 2021-12-07 | — | — | CN | disclosed |