SCHEMBL9937396

SCHEMBL9937396

COC(=O)C(C)OCC(F)(F)F

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.43
ACACB O00763 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.35
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA14 Q9ULX7 2/20 0.33
NOS3 P29474 2/20 0.32
NOS1 P29475 2/20 0.32
NOS2 P35228 2/20 0.32
CA12 O43570 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ACHE P22303 1/20 0.31
MAPK1 P28482 1/20 0.31
PLA2G2C Q5R387 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
SCHEMBL9937560 0.85 HTT (0.56) HTTACACBMEN1ALDH1A1TSHR
SCHEMBL24414212 0.84 SMN1; SMN2 (0.33) HTTSMN1; SMN2CA1CA2CA14
SCHEMBL5839522 0.83 SMN1; SMN2 (0.38) SMN1; SMN2CA1CA2CA14CA12
SCHEMBL9937592 0.82 HTT (0.42) HTTACACBSMN1; SMN2ALDH1A1KMT2A
SCHEMBL9937453 0.82 HTT (0.42) HTTACACBTSHR
SCHEMBL9938176 0.81 HTT (0.38) HTTACACBCA1CA2CA12
SCHEMBL21618250 0.81 HTT (0.45) HTTACACBSMN1; SMN2CA1CA2
SCHEMBL9937558 0.80 HTT (0.41) HTTACACB
SCHEMBL15283543 0.80 HTT (0.37) HTTACACB
SCHEMBL3341057 0.79 SMN1; SMN2 (0.35) SMN1; SMN2CA1CA2CA14CA12

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