SCHEMBL9937945

SCHEMBL9937945

CC(COC(=O)COCC(F)(F)F)OCC(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.36
PLA2G2C Q5R387 1/20 0.32
TDP1 Q9NUW8 2/20 0.32
TSHR P16473 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL9936602 0.90 HTT (0.34) HTTPLA2G2CTDP1TSHRL3MBTL1
SCHEMBL9936665 0.90 HTT (0.34) HTTPLA2G2CTDP1TSHRL3MBTL1
SCHEMBL15283979 0.87 HTT (0.36) HTTPLA2G2CTDP1TSHRL3MBTL1
SCHEMBL9936589 0.87 HTT (0.36) HTTTDP1TSHRL3MBTL1
SCHEMBL9937029 0.83 HTT (0.38) HTTPLA2G2C
SCHEMBL9937549 0.79 HTT (0.41) HTTPLA2G2CTDP1TSHR
SCHEMBL9937540 0.77 HTT (0.39) HTT
SCHEMBL9937083 0.76 PLA2G2C (0.36) HTTPLA2G2C
SCHEMBL9937614 0.76 HTT (0.48) HTTTSHR
SCHEMBL1717655 0.76 TDP1 (0.33) PLA2G2CTDP1

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 5 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
CN-103262329-B Battery electrolyte solution containing certain ester-based solvents and battery containing such electrolyte solution DOW GLOBAL TECHNOLOGIES LLC (US) 2016-02-10 CN 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