SCHEMBL9937551

SCHEMBL9937551

CCOCC(=O)OCC(F)CC

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
CYP3A4 P08684 1/20 0.33
ATM Q13315 1/20 0.33
ALDH1A1 P00352 3/20 0.32
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
TRPA1 O75762 1/20 0.30
MAPT P10636 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
SCHEMBL9936962 0.82 CYP3A4 (0.33) TSHRTDP1CYP3A4ATMALDH1A1
SCHEMBL26978064 0.76 GAA (0.44) TSHRALDH1A1MGAMGAASI
SCHEMBL575284 0.74 ALDH1A1 (0.43) TSHRTDP1CYP3A4ATMALDH1A1
SCHEMBL23000062 0.74 ALDH1A1 (0.43) TSHRTDP1CYP3A4ATMALDH1A1
SCHEMBL123093 0.74
SCHEMBL8946611 0.73 KDM4E (0.54)
SCHEMBL9936569 0.73 TSHR (0.35) TSHRTDP1ALDH1A1MGAMGAA
SCHEMBL9937890 0.73 TSHR (0.35) TSHRTDP1ALDH1A1MGAMGAA
SCHEMBL575286 0.73
Ether SCHEMBL28452342 0.72 GAA (0.55) TSHRALDH1A1MGAMGAASI

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