SCHEMBL1835560

SCHEMBL1835560

COC(C)NC(C)OC.O=C(O)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.47
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
ACLY P53396 2/20 0.31

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
SCHEMBL1833878 0.89 THRB (0.35) THRB
Trifluoroacetic Acid SCHEMBL1831715 0.82 MLYCD (0.32)
SCHEMBL27732602 0.81 THRB (0.50) THRBCES2CES1ACLY
SCHEMBL1839515 0.79 THRB (0.52) THRBACLY
Methyl Alcohol SCHEMBL6886966 0.75 THRB (0.70) THRBACLY
Ethane SCHEMBL28292303 0.75 THRB (0.70) THRBACLY
Fluoromethane SCHEMBL11207274 0.75 THRB (0.70) THRBACLY
Bicarbonate SCHEMBL1831708 0.75 ALDH1A1 (0.35)
Bicarbonate SCHEMBL1834590 0.75 ALDH1A1 (0.35)
SCHEMBL1833177 0.75 THRB (0.52) THRBACLY

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070185330-A1 Liquids THE UNIVERSITY OF YORK (GB) 2007-08-09 US claimed
EP-1805131-A2 IONIC LIQUIDS COMPRISING NITROGEN CONTAINING CATIONS THE UNIVERSITY OF YORK (GB) 2007-07-11 EP claimed
WO-2005097731-A2 IONIC LIQUIDS COMPRISING NITROGEN CONTAINING CATIONS THE UNIVERSITY OF YORK (GB) 2005-10-20 WO 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
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