SCHEMBL5131874

SCHEMBL5131874

CCCC(F)=C(C(=O)O)C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FAAH O00519 11/20 0.39
FFAR3 O14843 3/20 0.39
HDAC3 O15379 3/20 0.39
HDAC1 Q13547 3/20 0.39
HDAC2 Q92769 3/20 0.39
HDAC8 Q9BY41 3/20 0.39
CES1 P23141 8/20 0.38
CES2 O00748 4/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TSHR P16473 1/20 0.37

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
SCHEMBL9744931 0.77
SCHEMBL5484846 0.75
SCHEMBL1260669 0.72
SCHEMBL15545947 0.70 HDAC3 (0.43) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL15545946 0.70 HDAC3 (0.43) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL5801095 0.70 HDAC3 (0.43) FFAR3HDAC3HDAC1HDAC2HDAC8
SCHEMBL5963901 0.70 FAAH (0.32) FAAHCES1CES2MEN1CYP1A2
SCHEMBL1790074 0.69 ALDH1A1 (0.35) CES1TSHR
SCHEMBL1790076 0.69 ALDH1A1 (0.35) CES1TSHR
Trifluoroacetic Acid SCHEMBL27677560 0.68 TSHR (0.67) FAAHFFAR3HDAC3HDAC1HDAC2

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
US-7336875-B2 Enhancement of optical and mechanical properties in a polymeric optical element by annealing under a compressed gas SAMSUNG ELECTRONICS CO., LTD. (KR) 2008-02-26 US disclosed
US-20040223708-A1 Enhancement of optical and mechanical properties in a polymeric optical element by annealing under a compressed gas SAMSUNG ELECTRONICS CO., LTD. (KR) 2004-11-11 US disclosed
US-4904761-A GRAFT COPOLYMER OF A EPOXY RESIN AND VINYL POLYMER HAVING DISPERSED FINE PARTICLES OF SILICONE RUBBER MITSUI TOATSU CHEMICALS, INC. (JP) 1990-02-27 US disclosed