SCHEMBL27964166

SCHEMBL27964166

CCCCCC(=O)OS(=O)(=O)CCC(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FAAH O00519 11/20 0.42
CES1 P23141 6/20 0.41
CES2 O00748 4/20 0.41
DGKA P23743 1/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
KMT2A Q03164 1/20 0.41
HSD17B10 Q99714 1/20 0.41
LMNA P02545 2/20 0.39
PAM P19021 2/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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.

Compoundsimilaritytop predictedshared targets
SCHEMBL28238078 0.81 DGKA (0.52) CES1CES2DGKAMEN1KMT2A
SCHEMBL27910071 0.81 DGKA (0.52) CES1CES2DGKAMEN1KMT2A
SCHEMBL29150890 0.81 DGKA (0.52) CES1CES2DGKAMEN1KMT2A
SCHEMBL28639930 0.81 DGKA (0.52) CES1CES2DGKAMEN1KMT2A
SCHEMBL30818493 0.81 DGKA (0.52) CES1CES2DGKAMEN1KMT2A
SCHEMBL27857939 0.80 DGKA (0.43) CES1CES2DGKALMNAPAM
Ammonia Solution, Strong SCHEMBL29166189 0.80 DGKA (0.50) CES1CES2DGKALMNAPAM
SCHEMBL5972655 0.80 DGKA (0.46) CES1CES2DGKAMEN1KMT2A
SCHEMBL10384944 0.80 DGKA (0.50) CES1CES2DGKALMNAPAM
SCHEMBL28063853 0.80 DGKA (0.50) CES1CES2DGKALMNAPAM

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102471252-B Process for producing (fluoroalkylthio) acetic acid ester SUMITOMO CHEMICAL CO 2014-07-02 CN disclosed
CN-103709079-A Process for preparation of (fluoroalkylthio)acetic acid esters MASAJI HIROTA HIROYUKI MIYAZAKI TADAYOSHI ITOH 2014-04-09 CN disclosed