⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9936227 | 0.84 | — | — | |
| SCHEMBL9936238 | 0.82 | BBOX1 (0.34) | — | |
| Tributylmethylammonium SCHEMBL9935588 | 0.81 | — | — | |
| SCHEMBL9935875 | 0.77 | — | — | |
| SCHEMBL9935594 | 0.75 | BBOX1 (0.31) | — | |
| Sulfuric Acid SCHEMBL17102659 | 0.74 | CA5A (0.40) | — | |
| SCHEMBL4886484 | 0.71 | BBOX1 (0.36) | — | |
| Sulfuric Acid SCHEMBL7108309 | 0.69 | MEN1 (0.44) | — | |
| SCHEMBL27877154 | 0.69 | BBOX1 (0.32) | — | |
| SCHEMBL9936159 | 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 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 |