⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5013706 | 0.89 | CHRM4 (0.31) | — | |
| Lithium Ion SCHEMBL5022894 | 0.84 | — | — | |
| SCHEMBL5017077 | 0.70 | — | — | |
| Tetrylammonium SCHEMBL16713726 | 0.70 | TSHR (0.36) | — | |
| Tetrylammonium SCHEMBL5022910 | 0.68 | MAPT (0.31) | — | |
| Tetrylammonium SCHEMBL23831090 | 0.67 | TSHR (0.42) | — | |
| Tetrylammonium SCHEMBL5015082 | 0.66 | TSHR (0.32) | — | |
| SCHEMBL5013709 | 0.66 | — | — | |
| Tetrylammonium SCHEMBL28075424 | 0.65 | TSHR (0.35) | — | |
| Tetrylammonium SCHEMBL4559137 | 0.65 | TSHR (0.44) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8652682-B2 | Ionic compound, electrolytic solution, electrochemical device, and battery | SONY CORPORATION (JP) | 2014-02-18 | — | — | US | disclosed |
| US-20080118845-A1 | IONIC COMPOUND, ELECTROLYTIC SOLUTION, ELECTROCHEMICAL DEVICE, AND BATTERY | SONY CORPORATION (JP) | 2008-05-22 | — | — | US | disclosed |