⚠ 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 | |
|---|---|---|---|---|
| Trifluoroacetic Acid SCHEMBL907535 | 0.83 | CCR5 (0.31) | — | |
| Trifluoroacetic Acid SCHEMBL907638 | 0.82 | — | — | |
| SCHEMBL1769819 | 0.81 | KDM4E (0.33) | — | |
| Trifluoroacetic Acid SCHEMBL907599 | 0.81 | CCR5 (0.32) | — | |
| Trifluoroacetic Acid SCHEMBL907854 | 0.81 | KDM4E (0.36) | — | |
| Trifluoroacetic Acid SCHEMBL907643 | 0.79 | CHRM2 (0.33) | — | |
| Nitrous Acid SCHEMBL3446934 | 0.78 | — | — | |
| SCHEMBL3449211 | 0.78 | ALDH1A1 (0.30) | — | |
| SCHEMBL907543 | 0.77 | — | — | |
| Trifluoroacetic Acid SCHEMBL907726 | 0.77 | — | — |
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-7875732-B2 | Quaternary ammonium salt, electrolyte, electrolyte, solution and electrochemical device | OTSUKA CHEMICAL CO., LTD. (JP) | 2011-01-25 | — | — | US | disclosed |
| US-20080050657-A1 | N-methoxymethyl-N-methylpyrrolidinium trifluoromethanesulfonate; high solubility in organic solvents, high electroconductivity, voltage resistance; environmentally friendly; use in lithium battery; double layer capacitors | STELLA CHEMIFA CORPORATION (JP) | 2008-02-28 | — | — | US | disclosed |
| EP-1837333-A1 | QUATERNARY AMMONIUM SALT, ELECTROLYTE, ELECTROLYTE SOLUTION AND ELECTROCHEMICAL DEVICE | Otsuka Chemical Co., Ltd. (JP) | 2007-09-26 | — | — | EP | disclosed |