⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9936381 | 0.90 | — | — | |
| SCHEMBL9935822 | 0.83 | — | — | |
| SCHEMBL9843821 | 0.82 | — | — | |
| Perchlorate SCHEMBL6854218 | 0.74 | — | — | |
| SCHEMBL7072858 | 0.72 | — | — | |
| Iodide SCHEMBL818987 | 0.65 | — | — | |
| SCHEMBL6355112 | 0.63 | — | — | |
| Iodide SCHEMBL6847392 | 0.62 | — | — | |
| SCHEMBL4554669 | 0.59 | — | — | |
| SCHEMBL26660960 | 0.39 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2013079514-A1 | SULPHUR-FREE TRANSITION METAL-ISOCYANATE-BASED IONIC LIQUIDS | UNIVERSITÄT ROSTOCK (DE) | 2013-06-06 | — | — | WO | claimed |
| EP-2474527-B1 | IONIC LIQUID CONTAINING ALLYLSULFONATE ANION | WAKO PURE CHEM IND LTD (JP) | 2017-01-25 | — | — | EP | disclosed |
| US-8546609-B2 | Ionic liquid containing allylsulfonate anion | WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) | 2013-10-01 | — | — | US | disclosed |
| WO-2013079514-A1 | SULPHUR-FREE TRANSITION METAL-ISOCYANATE-BASED IONIC LIQUIDS | UNIVERSITÄT ROSTOCK (DE) | 2013-06-06 | — | — | WO | 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 |