⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2297458 | 0.88 | DNM1 (0.41) | — | |
| SCHEMBL9934579 | 0.83 | — | — | |
| SCHEMBL9935019 | 0.81 | DNM1 (0.34) | — | |
| SCHEMBL9934713 | 0.80 | — | — | |
| SCHEMBL2548308 | 0.79 | — | — | |
| SCHEMBL9935091 | 0.79 | TP53 (0.32) | — | |
| SCHEMBL9934324 | 0.78 | — | — | |
| SCHEMBL9934989 | 0.77 | — | — | |
| Potassium Ion SCHEMBL868033 | 0.77 | — | — | |
| Zinc Ion SCHEMBL2029236 | 0.77 | — | — |
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 2 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 |
| US-20120157680-A1 | IONIC LIQUID CONTAINING ALLYLSULFONATE ANION | WAKO PURE CHEMICAL INDUSTRIES, LTD. (JP) | 2012-06-21 | — | — | US | disclosed |