SCHEMBL14213758

SCHEMBL14213758

COC(=O)OCCC(F)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.31

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
SLC13A3 Q8WWT9 1/20 0.30
HTT P42858 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
SCHEMBL2893566 0.87 SLC13A3 (0.38) CA1CA2SLC13A3HTT
SCHEMBL22103912 0.83 MEN1 (0.37) ALDH1A1CA1CA2HTT
SCHEMBL29728719 0.79 CACNA1B (0.35) ALDH1A1CA1CA2SLC13A3HTT
SCHEMBL29728718 0.78 PLA2G2C (0.36) CA1CA2HTT
SCHEMBL15085760 0.78 CA1 (0.33) CA1CA2
SCHEMBL14213757 0.78 POLB (0.34) ALDH1A1HTT
SCHEMBL4912181 0.76 CA1 (0.33) CA1CA2
SCHEMBL47896 0.74 SMN1; SMN2 (0.41) ALDH1A1CA1CA2
SCHEMBL18135323 0.73 HTT (0.39) ALDH1A1CA1CA2HTT
SCHEMBL12301913 0.72 ALDH1A1 (0.33) ALDH1A1CA1CA2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8329344-B2 Fluorinated, acyclic carbonate derivatives; electrolytic double layer capacitor; excellent flame retardance, low temperature characteristics, withstand voltage, high solubility of an electrolyte salt; excellent compatibility with a hydrocarbon solvent DAIKIN INDUSTRIES, LTD. (JP) 2012-12-11 US disclosed