SCHEMBL9936819

SCHEMBL9936819

CCCCOC(=O)C(C)OCC(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
ATM Q13315 1/20 0.40
ACACB O00763 1/20 0.40
PLA2G2C Q5R387 1/20 0.38
TSHR P16473 2/20 0.38
HPGD P15428 2/20 0.38
HTT P42858 1/20 0.37
HCAR2 Q8TDS4 1/20 0.36
ESR1 P03372 1/20 0.36
NAAA Q02083 1/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
CES2 O00748 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 4/20 0.35
MAPT P10636 2/20 0.35
RAD52 P43351 1/20 0.34
MAPK1 P28482 1/20 0.33

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
SCHEMBL9937294 0.89 HTT (0.39) ALDH1A1ACACBPLA2G2CTSHRHTT
SCHEMBL9937535 0.85 TSHR (0.36) ALDH1A1ACACBPLA2G2CTSHRHTT
SCHEMBL9937592 0.82 HTT (0.42) ALDH1A1ACACBHPGDHTTL3MBTL1
SCHEMBL9937051 0.81 TSHR (0.44) ALDH1A1ACACBPLA2G2CTSHRHTT
SCHEMBL9937560 0.81 HTT (0.56) ALDH1A1ACACBTSHRHTT
SCHEMBL445760 0.81 ALDH1A1 (0.52) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL13715542 0.81 ALDH1A1 (0.52) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL9938176 0.81 HTT (0.38) ACACBTSHRHTTCA1CA2
SCHEMBL448441 0.80 ALDH1A1 (0.50) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL3038430 0.80 ALDH1A1 (0.50) ALDH1A1ATMTSHRHPGDHCAR2

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