SCHEMBL9936602

SCHEMBL9936602

CCOCC(=O)OCC(C)OCC(F)(F)F

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.34
KDM4E B2RXH2 1/20 0.32
GLA P06280 1/20 0.32
PLA2G2C Q5R387 1/20 0.31
TSHR P16473 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ACACB O00763 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL9937945 0.90 HTT (0.36) HTTPLA2G2CTSHRTDP1L3MBTL1
SCHEMBL9936665 0.88 HTT (0.34) HTTPLA2G2CTSHRTDP1L3MBTL1
SCHEMBL9936589 0.84 HTT (0.36) HTTTSHRTDP1L3MBTL1
SCHEMBL9937029 0.83 HTT (0.38) HTTPLA2G2CACACBNPC1RAB9A
SCHEMBL9937890 0.83 TSHR (0.35) TSHRTDP1L3MBTL1
SCHEMBL15283979 0.78 HTT (0.36) HTTPLA2G2CTSHRTDP1L3MBTL1
SCHEMBL9936459 0.78 HTT (0.36) HTTACACB
SCHEMBL9936569 0.76 TSHR (0.35) GLATSHRTDP1L3MBTL1
SCHEMBL9937549 0.76 HTT (0.41) HTTPLA2G2CTSHRTDP1
SCHEMBL9936648 0.76 PLA2G2C (0.37) HTTPLA2G2CTSHR

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 6 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
CN-103262329-A Battery electrolyte solution containing certain ester-based solvents and battery containing such electrolyte solution DOW GLOBAL TECHNOLOGIES INC 2013-08-21 CN 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