SCHEMBL28801174

SCHEMBL28801174

O=C(CCC(F)(F)F)OC(=O)C(=O)OC(=O)CCC(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
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
SCHEMBL770603 0.90 ALDH1A1 (0.43) ALDH1A1HTT
SCHEMBL2420701 0.84
SCHEMBL8664963 0.79 ALDH1A1 (0.65) ALDH1A1
SCHEMBL19452723 0.79 HTT (0.32) HTT
SCHEMBL17241952 0.78 ALDH1A1 (0.34) ALDH1A1
SCHEMBL27598853 0.77 HTT (0.31) HTT
SCHEMBL27604162 0.77 HTT (0.31) HTT
SCHEMBL14520195 0.76
SCHEMBL5013726 0.76
SCHEMBL17374772 0.75 ALDH1A1 (0.40) ALDH1A1HTT

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
CN-101188314-B Ionic compound, electrolytic solution, electrochemical device, and battery SONY CORP 2012-10-03 CN disclosed