⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL679693 | 0.76 | — | — | |
| SCHEMBL29007070 | 0.75 | — | — | |
| SCHEMBL15403345 | 0.71 | — | — | |
| SCHEMBL15404071 | 0.69 | — | — | |
| SCHEMBL15402613 | 0.69 | — | — | |
| SCHEMBL15403812 | 0.69 | — | — | |
| SCHEMBL15402661 | 0.69 | — | — | |
| SCHEMBL8055245 | 0.69 | — | — | |
| SCHEMBL15402436 | 0.69 | — | — | |
| SCHEMBL12477208 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2684870-A1 | METHOD FOR PREPARING THIOCARBOXYLIC ACID S-(FLUOROALKYL) ESTER | Sumitomo Chemical Company Limited (JP) | 2014-01-15 | — | — | EP | disclosed |
| EP-2339684-A2 | Nonaqueous electrolytic solution, nonaqueous electrolyte secondary cell, and carbonate compounds | Mitsubishi Chemical Corporation (JP) | 2011-06-29 | — | — | EP | disclosed |