SCHEMBL9936840

SCHEMBL9936840

CCOC(C)COC(=O)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MMP8 P22894 1/20 0.32
LMNA P02545 1/20 0.31
PRKCA P17252 1/20 0.31
TSHR P16473 2/20 0.31
HDAC4 P56524 2/20 0.30
HDAC6 Q9UBN7 2/20 0.30
HDAC3 O15379 1/20 0.30
HDAC1 Q13547 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL9936106 0.87 MMP8 (0.34) MMP8LMNAPRKCAALDH1A1
SCHEMBL26789210 0.86
SCHEMBL15474404 0.83
SCHEMBL27625810 0.82 PRKCA (0.47) MMP8LMNAPRKCATSHRALDH1A1
SCHEMBL5569394 0.81 TSHR (0.45) MMP8LMNAPRKCATSHRALDH1A1
SCHEMBL9936885 0.80 TSHR (0.32) PRKCATSHR
SCHEMBL9938019 0.78 MAPT (0.32)
SCHEMBL16220012 0.78 MMP8 (0.33) MMP8PRKCA
SCHEMBL9936545 0.78
SCHEMBL1469447 0.77 ALDH1A1 (0.48) LMNATSHRALDH1A1

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