SCHEMBL29300034

SCHEMBL29300034

CCCOCCOCC(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.38
PLA2G2C Q5R387 1/20 0.34
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 1/20 0.30
THRB P10828 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
MAPT P10636 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
SCHEMBL125933 0.95
SCHEMBL8932225 0.90 CES1 (0.44) CES1PLA2G2CHSD17B10MEN1THRB
SCHEMBL26110987 0.86 CA1 (0.33) CES1MEN1HTTKMT2A
SCHEMBL19946674 0.86 CA1 (0.33) CES1MEN1HTTKMT2A
SCHEMBL19946677 0.86 CA1 (0.33) CES1MEN1HTTKMT2A
SCHEMBL1718051 0.86 CA1 (0.33) CES1MEN1HTTKMT2A
SCHEMBL11995943 0.84 ALDH1A1 (0.38) CES1PLA2G2CTHRB
SCHEMBL11995942 0.84 ALDH1A1 (0.38) CES1PLA2G2CTHRB
SCHEMBL11995944 0.84 ALDH1A1 (0.38) CES1PLA2G2CTHRB
SCHEMBL1591167 0.83 CA1 (0.35) CES1HTT

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-2024145810-A1 ELECTROLYTE SOLUTION, SECONDARY BATTERY COMPRISING SAME, AND ELECTRIC DEVICE 宁德时代新能源科技股份有限公司 2024-07-11 WO disclosed