⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL238357 | 0.94 | — | — | |
| Fluoride SCHEMBL27861841 | 0.63 | — | — | |
| Fluoride SCHEMBL27931037 | 0.60 | — | — | |
| SCHEMBL4451667 | 0.56 | — | — | |
| SCHEMBL388978 | 0.56 | — | — | |
| SCHEMBL9510100 | 0.56 | — | — | |
| Butadiene SCHEMBL3424002 | 0.54 | TRPA1 (0.40) | — | |
| Butadiene SCHEMBL3424006 | 0.54 | TRPA1 (0.40) | — | |
| Butadiene SCHEMBL8573591 | 0.54 | — | — | |
| Fluoride SCHEMBL23581255 | 0.50 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109417200-A | Additive for nonaqueous electrolyte solution, nonaqueous electrolyte solution using same, and nonaqueous electrolyte secondary battery | 中央硝子株式会社 | 2019-03-01 | — | — | CN | disclosed |
| CN-109417199-A | Non-aqueous electrolyte and nonaqueous electrolyte secondary battery | 中央硝子株式会社 | 2019-03-01 | — | — | CN | disclosed |