⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28957291 | 0.97 | USP2 (0.30) | — | |
| SCHEMBL5543203 | 0.86 | USP2 (0.37) | — | |
| SCHEMBL248968 | 0.71 | TSHR (0.30) | — | |
| SCHEMBL7108890 | 0.71 | TSHR (0.30) | — | |
| SCHEMBL2378798 | 0.70 | — | — | |
| SCHEMBL1484545 | 0.69 | — | — | |
| SCHEMBL18176777 | 0.69 | TSHR (0.38) | — | |
| SCHEMBL13902818 | 0.69 | — | — | |
| SCHEMBL92928 | 0.69 | — | — | |
| SCHEMBL28840613 | 0.68 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| 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 |
| CN-1027581-C | Method for producing recording material for ink jet printing | CIBA GEIGY AG (CH) | 1995-02-08 | — | — | CN | disclosed |
| CN-1044258-A | The recording materials of ink-jet printing | CIBA GEIGY AG (CH) | 1990-08-01 | — | — | CN | disclosed |