SCHEMBL18525607

SCHEMBL18525607

COC(=O)OCC(O)(F)F

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.38
ALDH1A1 P00352 2/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
TSHR P16473 2/20 0.31
ACHE P22303 1/20 0.30
CTRB1 P17538 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
SCHEMBL308513 0.83 HTT (0.56) HTTALDH1A1CA1CA2SMN1; SMN2
SCHEMBL18135323 0.83 HTT (0.39) HTTALDH1A1CA1CA2SMN1; SMN2
SCHEMBL15085753 0.81 HTT (0.38) HTTALDH1A1CA1CA2SMN1; SMN2
Bicarbonate SCHEMBL25258593 0.79 HTT (0.52) HTTALDH1A1CA1CA2SMN1; SMN2
SCHEMBL18135324 0.79 HTT (0.37) HTTCA1CA2SMN1; SMN2TSHR
SCHEMBL2894574 0.79 HTT (0.37) HTTALDH1A1CA1CA2SMN1; SMN2
Bicarbonate SCHEMBL25297596 0.79 HTT (0.52) HTTALDH1A1CA1CA2SMN1; SMN2
SCHEMBL308783 0.77 POLB (0.45) HTTALDH1A1SMN1; SMN2TSHR
SCHEMBL22372421 0.77 HTT (0.35) HTTALDH1A1CA1CA2SMN1; SMN2
SCHEMBL18135330 0.77 HTT (0.35) HTTCA1CA2SMN1; SMN2TSHR

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
WO-2016161465-A9 FLUORINATED ALKALI ION ELECTROLYTES WITH URETHANE GROUPS SEEO, INC. (US) 2017-02-16 WO disclosed