⚠ 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 | |
|---|---|---|---|---|
| Dimethyl Sulfone SCHEMBL28141797 | 0.83 | — | — | |
| Propionitrile SCHEMBL28140287 | 0.80 | ALDH1A1 (0.60) | — | |
| Sulfuric Acid SCHEMBL27688300 | 0.80 | — | — | |
| Sulfuric Acid SCHEMBL17023852 | 0.80 | ALDH1A1 (0.60) | — | |
| Propionitrile SCHEMBL30659047 | 0.78 | — | — | |
| Propionitrile SCHEMBL28117218 | 0.78 | — | — | |
| Sulfuric Acid SCHEMBL28698980 | 0.78 | ALDH1A1 (0.56) | — | |
| Propionitrile SCHEMBL15485 | 0.78 | — | — | |
| Sulfuric Acid SCHEMBL28698982 | 0.78 | ALDH1A1 (0.56) | — | |
| Propionitrile SCHEMBL27701221 | 0.78 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20200266489-A1 | CYANOALKYL SULFONYLFLUORIDES FOR ELECTROLYTE COMPOSITIONS FOR HIGH ENERGY LITHIUM-ION BATTERIES | BASF SE (DE) | 2020-08-20 | — | — | US | disclosed |
| EP-3391453-B1 | CYANOALKYL SULFONYLFLUORIDES FOR ELECTROLYTE COMPOSITIONS FOR HIGH ENERGY LITHIUM-ION BATTERIES | BASF SE (DE) | 2020-07-08 | — | — | EP | disclosed |
| EP-3391453-A1 | CYANOALKYL SULFONYLFLUORIDES FOR ELECTROLYTE COMPOSITIONS FOR HIGH ENERGY LITHIUM-ION BATTERIES | BASF SE (DE) | 2018-10-24 | — | — | EP | disclosed |
| CN-108475821-A | Cyanoalkyl sulfuryl fluoride for high-performance lithium ion battery group electrolyte composition | 巴斯夫欧洲公司 | 2018-08-31 | — | — | CN | disclosed |