SCHEMBL1759004

SCHEMBL1759004

CCCCCCN(CC(F)(F)C(F)C(F)(F)F)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FAAH O00519 10/20 0.39
CES1 P23141 5/20 0.39
CES2 O00748 5/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MAPT P10636 1/20 0.38
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
ZDHHC20 Q5W0Z9 2/20 0.35
ZDHHC2 Q9UIJ5 1/20 0.33

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
SCHEMBL1758783 0.94 CA12 (0.38) FAAHCES1CES2MEN1CYP1A2
SCHEMBL15225078 0.92
SCHEMBL15224857 0.88 FAAH (0.41) FAAHCES1CES2MEN1CYP1A2
SCHEMBL1759006 0.81 CA12 (0.40) FAAHCES1CES2MEN1CYP1A2
SCHEMBL15224778 0.80 FAAH (0.46) FAAHCES1CES2MEN1CYP1A2
SCHEMBL15225307 0.80 FAAH (0.46) FAAHCES1CES2MEN1CYP1A2
SCHEMBL1758831 0.80 FAAH (0.46) FAAHCES1CES2MEN1CYP1A2
SCHEMBL15224878 0.80 FAAH (0.46) FAAHCES1CES2MEN1CYP1A2
SCHEMBL15224893 0.79
SCHEMBL15224890 0.78 FAAH (0.43) FAAHCES1CES2MEN1CYP1A2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2497084-B1 Selection method for additives in photopolymers BAYER IP GMBH (DE) 2013-12-25 EP disclosed
EP-2497082-B1 Fluorurethane as additive in a photopolymer formulation BAYER IP GMBH (DE) 2013-09-04 EP disclosed
EP-2497084-A1 SELECTION METHOD FOR ADDITIVES IN PHOTOPOLYMERS Bayer MaterialScience AG (DE) 2012-09-12 EP disclosed
WO-2011054796-A1 SELECTION METHOD FOR ADDITIVES IN PHOTOPOLYMERS BAYER MATERIALSCIENCE AG (DE) 2011-05-12 WO disclosed