SCHEMBL1833425

SCHEMBL1833425

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

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.56
ACLY P53396 2/20 0.35
SLC7A5 Q01650 1/20 0.32
TP53 P04637 1/20 0.32
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP9 P14780 1/20 0.30
MMP8 P22894 1/20 0.30
MMP13 P45452 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
SCHEMBL1835205 0.86 THRB (0.42) THRBACLYSLC7A5TP53
SCHEMBL27732602 0.85 THRB (0.50) THRBACLY
Ethane SCHEMBL28292303 0.83 THRB (0.70) THRBACLY
Fluoromethane SCHEMBL11207274 0.83 THRB (0.70) THRBACLY
Methyl Alcohol SCHEMBL6886966 0.83 THRB (0.70) THRBACLY
SCHEMBL1833177 0.83 THRB (0.52) THRBACLYCA1CA2MMP1
SCHEMBL1131904 0.83 THRB (0.52) THRBACLY
SCHEMBL1839515 0.83 THRB (0.52) THRBACLYCA1CA2MMP1
SCHEMBL37922 0.83 THRB (0.78) THRBACLYTP53
SCHEMBL31083846 0.83 THRB (0.78) THRBACLYTP53

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