SCHEMBL1835205

SCHEMBL1835205

CC(N)O.O=C(O)C(F)(F)C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.42
TP53 P04637 1/20 0.35
SLC7A5 Q01650 2/20 0.35
ACLY P53396 2/20 0.33
GABRP O00591 4/20 0.31
GABRD O14764 4/20 0.31
GABRA1 P14867 4/20 0.31
GABRB1 P18505 4/20 0.31
GABRG2 P18507 4/20 0.31
GABRB3 P28472 4/20 0.31
GABRA5 P31644 4/20 0.31
GABRA3 P34903 4/20 0.31
GABRA2 P47869 4/20 0.31
GABRB2 P47870 4/20 0.31
GABRA4 P48169 4/20 0.31
GABRE P78334 4/20 0.31
GABRA6 Q16445 4/20 0.31
GABRG1 Q8N1C3 4/20 0.31
GABRG3 Q99928 4/20 0.31
GABRQ Q9UN88 4/20 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
SCHEMBL1833425 0.86 THRB (0.56) THRBTP53SLC7A5ACLY
SCHEMBL27733007 0.84 THRB (0.38) THRBSLC7A5ACLY
Trifluoroacetic Acid SCHEMBL1833665 0.81 TP53 (0.40) TP53SLC7A5GABRPGABRDGABRA1
SCHEMBL1132265 0.81 THRB (0.39) THRBTP53ACLY
SCHEMBL1832179 0.81 THRB (0.39) THRBTP53ACLY
SCHEMBL1839044 0.81 THRB (0.39) THRBTP53ACLY
SCHEMBL63977 0.81 THRB (0.58) THRBTP53ACLYALDH1A1TET2
Fluoride SCHEMBL1898636 0.78 THRB (0.55) THRBTP53ACLYALDH1A1TET2
SCHEMBL5963066 0.78 THRB (0.55) THRBTP53ACLYALDH1A1TET2
SCHEMBL621694 0.78 THRB (0.55) THRBTP53ACLYALDH1A1TET2

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