⚠ 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 | |
|---|---|---|---|---|
| Methylethylamine SCHEMBL29978351 | 0.77 | — | — | |
| Methylethylamine SCHEMBL30334996 | 0.77 | — | — | |
| Methylethylamine SCHEMBL30238672 | 0.77 | — | — | |
| Butane SCHEMBL2158974 | 0.75 | — | — | |
| Diethylamine SCHEMBL15348150 | 0.75 | — | — | |
| SCHEMBL28220423 | 0.74 | — | — | |
| SCHEMBL5398791 | 0.72 | — | — | |
| Propane SCHEMBL7622911 | 0.71 | — | — | |
| Dimethylamine SCHEMBL2159697 | 0.71 | — | — | |
| Propane SCHEMBL16416484 | 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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6728096-B1 | IMIDAZOLIUM AND TETRAALKYLAMMONIUM SALTS IN ORGANIC SOLVENT; LOW TEMPERATURE BATTERIES AND CAPACITORS | LITHDYNE INTERNATIONAL | 2004-04-27 | — | — | US | claimed |
| CN-105324826-B | The energy accumulating device of energy density with enhancing | 麦斯韦尔技术股份有限公司 | 2018-10-02 | — | — | CN | disclosed |
| CN-105161765-B | A kind of lithium ion power battery electrolyte | 东莞市天丰电源材料有限公司 | 2018-09-28 | — | — | CN | disclosed |