⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28172540 | 0.83 | ALDH1A1 (0.38) | — | |
| SCHEMBL156591 | 0.83 | — | — | |
| Acrylonitrile SCHEMBL28100699 | 0.78 | ALDH1A1 (0.53) | — | |
| Acrylonitrile SCHEMBL11687112 | 0.75 | ALDH1A1 (0.43) | — | |
| Propionitrile SCHEMBL22635091 | 0.75 | — | — | |
| Acrylonitrile SCHEMBL9384160 | 0.71 | — | — | |
| Acrylonitrile SCHEMBL9328466 | 0.71 | — | — | |
| Bicarbonate SCHEMBL11673969 | 0.70 | — | — | |
| Acrylonitrile SCHEMBL8149208 | 0.70 | ALDH1A1 (0.69) | — | |
| Acrylonitrile SCHEMBL8765475 | 0.70 | — | — |
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-107408735-B | Non-aqueous electrolyte and non-aqueous secondary battery | 旭化成株式会社 | 2019-06-11 | — | — | CN | disclosed |
| CN-107431247-A | Non-aqueous electrolyte and non-aqueous secondary battery | 旭化成株式会社 | 2017-12-01 | — | — | CN | disclosed |
| CN-107408735-A | Non-aqueous electrolyte and non-aqueous secondary battery | 旭化成株式会社 | 2017-11-28 | — | — | CN | disclosed |