SCHEMBL9943752

SCHEMBL9943752

O=C(O)CSCCCC(F)(F)C(F)C(F)F

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GMNN O75496 1/20 0.42
TP53 P04637 1/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
CYP2C9 P11712 1/20 0.42
BLM P54132 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CYP2D6 P10635 1/20 0.37
HIF1A Q16665 1/20 0.37
CES1 P23141 5/20 0.36
BHMT Q93088 1/20 0.35
FAAH O00519 4/20 0.34
CES2 O00748 2/20 0.34
PLA2G6 O60733 1/20 0.34

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
SCHEMBL9943758 0.86 GMNN (0.44) GMNNTP53POLBMAPTTHRB
SCHEMBL9943878 0.77 GMNN (0.50) GMNNTP53POLBMAPTTHRB
SCHEMBL5077831 0.74 GMNN (0.47) GMNNTP53POLBMAPTTHRB
SCHEMBL9943683 0.74 GMNN (0.52) GMNNTP53POLBMAPTTHRB
SCHEMBL15403692 0.74 CYP2C19 (0.34) POLBBLM
SCHEMBL2133822 0.73 EPHX1 (0.33) HSD17B10
SCHEMBL9943715 0.72 GMNN (0.53) GMNNTP53POLBMAPTTHRB
SCHEMBL9943837 0.71 GMNN (0.44) GMNNTP53POLBMAPTTHRB
SCHEMBL9943792 0.71 GMNN (0.53) GMNNTP53POLBMAPTTHRB
Propionic Acid SCHEMBL27598868 0.71 FFAR3 (0.37) MAPTHSD17B10CES1FAAHCES2

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.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2664613-A1 Process for producing amide compounds Sumitomo Chemical Company, Limited (JP) 2013-11-20 EP disclosed
EP-2662355-A1 Process for producing a (fluoroalkylthio) acetonitrile Sumitomo Chemical Company, Limited (JP) 2013-11-13 EP disclosed
EP-2465846-A1 PROCESS FOR PREPARATION OF (FLUOROALKYLTHIO)ACETIC ACID ESTERS Sumitomo Chemical Company, Limited (JP) 2012-06-20 EP disclosed