SCHEMBL1833878

SCHEMBL1833878

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

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 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
SCHEMBL1835560 0.89 THRB (0.47) THRB
Trifluoroacetic Acid SCHEMBL1831715 0.85 MLYCD (0.32)
SCHEMBL27733007 0.79 THRB (0.38) THRB
Bicarbonate SCHEMBL1834590 0.78 ALDH1A1 (0.35)
Bicarbonate SCHEMBL1831708 0.78 ALDH1A1 (0.35)
SCHEMBL1832179 0.77 THRB (0.39) THRB
Oxalic Acid SCHEMBL1835265 0.75 SMN1; SMN2 (0.33)
Oxalic Acid SCHEMBL1835274 0.75 SMN1; SMN2 (0.33)
Acetic Acid SCHEMBL1838385 0.75 ALDH1A1 (0.40)
SCHEMBL1839044 0.72 THRB (0.39) THRB

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