SCHEMBL1131408

SCHEMBL1131408

CCCCN(CCO)CCO.O=C(O)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.41
KDM5A P29375 4/20 0.36
PHF8 Q9UPP1 2/20 0.35
KDM4C Q9H3R0 2/20 0.35
CA12 O43570 2/20 0.34
CA1 P00915 2/20 0.34
CA9 Q16790 2/20 0.34
ARG1 P05089 1/20 0.33
ARG2 P78540 1/20 0.33
MLYCD O95822 2/20 0.33
FUCA1 P04066 1/20 0.31
FAAH O00519 3/20 0.31
ACLY P53396 2/20 0.31
NR1H2 P55055 1/20 0.30
NR1H3 Q13133 1/20 0.30
ICMT O60725 1/20 0.30
ALB P02768 1/20 0.30
CES2 O00748 1/20 0.30
CES1 P23141 1/20 0.30

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
SCHEMBL1131866 0.90 KDM5A (0.38) KDM5APHF8KDM4CCA12CA1
SCHEMBL28483526 0.87 THRB (0.59) THRBKDM5APHF8KDM4CCA12
Trifluoroacetic Acid SCHEMBL1131459 0.84 KDM5A (0.41) KDM5APHF8KDM4CCA12CA1
SCHEMBL28703641 0.80 ARG1 (0.33) THRBCA12CA9ARG1ARG2
SCHEMBL1131410 0.79 THRB (0.37) THRBMLYCDCES2
Bicarbonate SCHEMBL1132307 0.78 KDM5A (0.47) THRBKDM5APHF8KDM4CCA12
Bicarbonate SCHEMBL1131246 0.78 KDM5A (0.47) THRBKDM5APHF8KDM4CCA12
Dimethylaminoethanol SCHEMBL1131545 0.78 THRB (0.48) THRBMLYCDACLY
Acetic Acid SCHEMBL8679146 0.77 KDM5A (0.46) THRBKDM5APHF8KDM4CCA12
Oxalic Acid SCHEMBL30185057 0.77 KDM5A (0.46) THRBKDM5APHF8KDM4CCA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8784686-B2 Liquids INNOVIA FILMS LIMITED (GB) 2014-07-22 US claimed
EP-1805131-B1 IONIC LIQUIDS COMPRISING NITROGEN CONTAINING CATIONS INNOVIA FILMS LTD (GB) 2011-02-16 EP claimed
US-20070185330-A1 Liquids THE UNIVERSITY OF YORK (GB) 2007-08-09 US claimed
US-9328220-B2 Liquids INNOVIA FILMS LIMITED (GB) 2016-05-03 US disclosed
US-8992798-B2 Liquids INNOVIA FILMS LIMITED (GB) 2015-03-31 US disclosed
US-8784686-B2 Liquids INNOVIA FILMS LIMITED (GB) 2014-07-22 US disclosed
US-20140187684-A1 LIQUIDS INNOVIA FILMS LIMITED (GB) 2014-07-03 US disclosed
US-20110257433-A1 LIQUIDS THE UNIVERSITY OF YORK (GB) 2011-10-20 US disclosed
EP-2322497-A1 Ionic liquids comprising nitrogen containing cations Innovia Films Limited (GB) 2011-05-18 EP disclosed
EP-1805131-B1 IONIC LIQUIDS COMPRISING NITROGEN CONTAINING CATIONS INNOVIA FILMS LTD (GB) 2011-02-16 EP disclosed
CN-101316810-A Ionic liquids BIONIQS LTD (GB) 2008-12-03 CN disclosed
US-20080221361-A1 Ionic Liquids BIONIQS LIMITED (GB) 2008-09-11 US disclosed
US-20070185330-A1 Liquids THE UNIVERSITY OF YORK (GB) 2007-08-09 US disclosed