SCHEMBL18211790

SCHEMBL18211790

CC(OC(=O)C(=O)OC(C(F)(F)F)C(F)(F)F)C(F)(F)F

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ABHD6 Q9BV23 1/20 0.33
ADORA2B P29275 2/20 0.31
GABRA1 P14867 2/20 0.30
GABRG2 P18507 2/20 0.30
GABRB3 P28472 2/20 0.30
GABRA5 P31644 2/20 0.30
GABRA3 P34903 2/20 0.30
GABRA2 P47869 2/20 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
SCHEMBL15824292 0.85 CA1 (0.36) ABHD6
SCHEMBL16985214 0.82 ABHD6 (0.33) ABHD6GABRA1GABRG2GABRB3GABRA5
SCHEMBL16046154 0.81 GABRA1 (0.31) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL18211786 0.79 ABHD6 (0.38) ABHD6
SCHEMBL17322700 0.79 GABRA1 (0.31) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL18408793 0.78 ABHD6 (0.32) ABHD6
SCHEMBL18211787 0.78 CA1 (0.31)
SCHEMBL18211789 0.77 MMP8 (0.36) ADORA2B
SCHEMBL21208171 0.76 ABHD6 (0.35) ABHD6
SCHEMBL16047414 0.76 RORC (0.30)

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-20160329599-A1 Lithium Secondary Battery Electrolyte and Lithium Secondary Battery Comprising Same SK INNOVATION CO., LTD. (KR) 2016-11-10 US disclosed