SCHEMBL1833176

SCHEMBL1833176

CNCCO.O=C(O)C(F)(F)C(F)(F)C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.48
ALDH1A1 P00352 1/20 0.36
ACLY P53396 2/20 0.35

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
SCHEMBL1839042 0.88 THRB (0.37) THRBALDH1A1ACLY
Diethanolamine SCHEMBL1839514 0.84 THRB (0.52) THRBALDH1A1ACLY
Trifluoroacetic Acid SCHEMBL1832229 0.81 ALDH1A1 (0.36) ALDH1A1
Ethylene Glycol SCHEMBL28805968 0.81 THRB (0.64) THRBALDH1A1ACLY
Alcohol SCHEMBL27753008 0.77 THRB (0.58) THRBACLY
Methyl Alcohol SCHEMBL6886966 0.76 THRB (0.70) THRBALDH1A1ACLY
Ethane SCHEMBL28292303 0.76 THRB (0.70) THRBALDH1A1ACLY
Fluoromethane SCHEMBL11207274 0.76 THRB (0.70) THRBALDH1A1ACLY
SCHEMBL37922 0.76 THRB (0.78) THRBALDH1A1ACLY
SCHEMBL31083846 0.76 THRB (0.78) THRBALDH1A1ACLY

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 10 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
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
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