SCHEMBL9936620

SCHEMBL9936620

COCCOC(=O)CC(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.38
DGKA P23743 1/20 0.33
HTT P42858 1/20 0.31
ADRA2A P08913 1/20 0.31
ADRA1A P35348 1/20 0.31
ADORA2A P29274 1/20 0.31
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
BLM P54132 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
Propene SCHEMBL1219371 0.91 TSHR (0.33) TSHRALDH1A1
SCHEMBL18938296 0.89 HTT (0.37) DGKAHTTADRA2AADRA1AMAPT
SCHEMBL9937395 0.88 TDP1 (0.37) TSHRDGKAALDH1A1
SCHEMBL18927364 0.83 NAAA (0.47) TSHRDGKAHTTADRA2AADRA1A
SCHEMBL123715 0.80 NAAA (0.39) TSHRDGKAALDH1A1
SCHEMBL18269852 0.80 TSHR (0.39) TSHRDGKAADRA2AADRA1AALDH1A1
SCHEMBL18938210 0.79 NAAA (0.41) TSHRDGKAHTTALDH1A1
SCHEMBL9937991 0.79 ALDH1A1 (0.52) TSHRDGKAALDH1A1
SCHEMBL19857446 0.77 HTT (0.33) HTT
SCHEMBL19495128 0.77 TSHR (0.38) TSHRHTT

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