⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11938096 | 0.97 | — | — | |
| SCHEMBL15404537 | 0.91 | — | — | |
| SCHEMBL50325 | 0.84 | — | — | |
| SCHEMBL155212 | 0.81 | — | — | |
| SCHEMBL9330307 | 0.81 | — | — | |
| SCHEMBL15466584 | 0.81 | — | — | |
| SCHEMBL156819 | 0.81 | — | — | |
| SCHEMBL9165355 | 0.78 | — | — | |
| SCHEMBL27496784 | 0.77 | — | — | |
| SCHEMBL59847 | 0.75 | LMNA (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2684870-A1 | METHOD FOR PREPARING THIOCARBOXYLIC ACID S-(FLUOROALKYL) ESTER | Sumitomo Chemical Company Limited (JP) | 2014-01-15 | — | — | EP | disclosed |
| CN-103347855-A | Method for preparing thiocarboxylic acid s-(fluoroalkyl) ester | SUMITOMO CHEMICAL CO | 2013-10-09 | — | — | CN | disclosed |
| US-RE44096-E1 | Fluorine-containing compound having hydrolyzable metal alkoxide moiety, curable fluorine-containing polymer prepared from the same compound, and curable fluorine-containing resin composition comprising the same polymer | DAIKIN INDUSTRIES, LTD. (JP) | 2013-03-19 | — | — | US | disclosed |