⚠ 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 | |
|---|---|---|---|---|
| Tributylmethylammonium SCHEMBL9935582 | 0.84 | MEN1 (0.35) | — | |
| SCHEMBL9936241 | 0.81 | — | — | |
| Tributylmethylammonium SCHEMBL9936102 | 0.80 | ENPP2 (0.33) | — | |
| Tributylmethylammonium SCHEMBL9936142 | 0.79 | ENPP2 (0.33) | — | |
| Tributylmethylammonium SCHEMBL1627727 | 0.78 | TP53 (0.41) | — | |
| SCHEMBL9936227 | 0.78 | — | — | |
| Tributylmethylammonium SCHEMBL28478908 | 0.76 | TP53 (0.40) | — | |
| Tributylmethylammonium SCHEMBL1618263 | 0.76 | SLC22A1 (0.39) | — | |
| Tributylmethylammonium SCHEMBL268725 | 0.74 | MEN1 (0.39) | — | |
| Tributylmethylammonium SCHEMBL9934776 | 0.73 | ENPP2 (0.36) | — |
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-8546609-B2 | Ionic liquid containing allylsulfonate anion | WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) | 2013-10-01 | — | — | US | disclosed |
| EP-2474527-A1 | IONIC LIQUID CONTAINING ALLYLSULFONATE ANION | Wako Pure Chemical Industries, Ltd. (JP) | 2012-07-11 | — | — | EP | disclosed |
| US-20120157680-A1 | IONIC LIQUID CONTAINING ALLYLSULFONATE ANION | WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) | 2012-06-21 | — | — | US | disclosed |