SCHEMBL9937560

SCHEMBL9937560

CC(OCC(F)(F)F)C(=O)OCC(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.56
ACACB O00763 1/20 0.36
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
KMT2A Q03164 1/20 0.32
HSD17B10 Q99714 1/20 0.32
FABP7 O15540 1/20 0.30
CAPN1 P07384 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
SCHEMBL9937592 0.88 HTT (0.42) HTTACACBALDH1A1KMT2AHSD17B10
SCHEMBL9937396 0.85 HTT (0.43) HTTACACBMEN1ALDH1A1TSHR
SCHEMBL9937540 0.84 HTT (0.39) HTTACACB
SCHEMBL9937294 0.84 HTT (0.39) HTTACACBALDH1A1TSHR
SCHEMBL9937453 0.83 HTT (0.42) HTTACACBTSHR
SCHEMBL9938176 0.83 HTT (0.38) HTTACACBTSHR
SCHEMBL9938336 0.83 HTT (0.56) HTTMEN1ALDH1A1TSHRKMT2A
SCHEMBL9937558 0.82 HTT (0.41) HTTACACB
SCHEMBL15283543 0.81 HTT (0.37) HTTACACB
SCHEMBL9936819 0.81 ALDH1A1 (0.42) HTTACACBALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9472813-B2 Battery electrolyte solution containing certain ester-based solvents, and batteries containing such an electrolyte solution DOW GLOBAL TECHNOLOGIES LLC (US) 2016-10-18 US disclosed
EP-2652832-A1 BATTERY ELECTROLYTE SOLUTION CONTAINING CERTAIN ESTER-BASED SOLVENTS, AND BATTERIES CONTAINING SUCH AN ELECTROLYTE SOLUTION Dow Global Technologies LLC (US) 2013-10-23 EP disclosed
US-20130260229-A1 BATTERY ELECTROLYTE SOLUTION CONTAINING CERTAIN ESTER-BASED SOLVENTS, AND BATTERIES CONTAINING SUCH AN ELECTROLYTE SOLUTION DOW GLOBAL TECHNOLOGIES LLC (US) 2013-10-03 US disclosed
WO-2012082760-A1 BATTERY ELECTROLYTE SOLUTION CONTAINING CERTAIN ESTER-BASED SOLVENTS, AND BATTERIES CONTAINING SUCH AN ELECTROLYTE SOLUTION DOW GLOBAL TECHNOLOGIES LLC (US) 2012-06-21 WO disclosed