⚠ 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 | |
|---|---|---|---|---|
| Tetrylammonium SCHEMBL3271235 | 0.79 | TSHR (0.36) | — | |
| SCHEMBL15229857 | 0.78 | — | — | |
| Tetramethylammonium Ion SCHEMBL12469916 | 0.74 | — | — | |
| SCHEMBL3719065 | 0.73 | SLC22A1 (0.33) | — | |
| SCHEMBL3630341 | 0.71 | FDPS (0.33) | — | |
| SCHEMBL15136602 | 0.71 | KDM4E (0.30) | — | |
| SCHEMBL12469732 | 0.71 | PGK1 (0.30) | — | |
| Potassium Ion SCHEMBL3272040 | 0.71 | SLC34A1 (0.33) | — | |
| SCHEMBL15136323 | 0.71 | PGK1 (0.30) | — | |
| Silver SCHEMBL18668196 | 0.71 | PGK1 (0.30) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1685095-B1 | METHOD FOR THE PRODUCTION OF ORGANIC SALTS CONTAINING BIS(PERFLUOROALKYL)PHOSPHINATE ANIONS | MERCK PATENT GMBH (DE) | 2010-08-11 | — | — | EP | disclosed |
| US-7576242-B2 | N-Ethylpyridinium bis(pentafluoroethyl)phosphinate; reacting tris(perfluoroalkyl)phosphine oxide is reacted with an alcohol and an organic base; ionic liquids | MERCK PATENT GMBH (DE) | 2009-08-18 | — | — | US | disclosed |
| US-20070128515-A1 | Process for the preparation of organic salts containing bis(perfluoroalkyl) phosphinate anions | MERCK PATENT GMBH (DE) | 2007-06-07 | — | — | US | disclosed |
| EP-1685095-A1 | METHOD FOR THE PRODUCTION OF ORGANIC SALTS CONTAINING BIS(PERFLUOROALKYL)PHOSPHINATE ANIONS | MERCK PATENT GmbH (DE) | 2006-08-02 | — | — | EP | disclosed |
| WO-2005049555-A1 | METHOD FOR THE PRODUCTION OF ORGANIC SALTS CONTAINING BIS(PERFLUOROALKYL)PHOSPHINATE ANIONS | MERCK PATENT GMBH (DE) | 2005-06-02 | — | — | WO | disclosed |