SCHEMBL17866523

SCHEMBL17866523

CC(=O)OC(C)(CCCC(C)C(=O)O)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.46
GABRR1 P24046 2/20 0.42
BLM P54132 1/20 0.42
LTA4H P09960 1/20 0.39
CYP1A2 P05177 1/20 0.38
ACE2 Q9BYF1 1/20 0.36
ACACB O00763 1/20 0.36
ACACA Q13085 1/20 0.36
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
TBXAS1 P24557 2/20 0.32

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
SCHEMBL15618963 0.78 GAA (0.52) GAA
SCHEMBL17023949 0.78 GAA (0.52) GAA
SCHEMBL17023959 0.78 GAA (0.52) GAA
SCHEMBL3326996 0.77 GAA (0.50) GAAGABRR1BLMCYP1A2MEN1
SCHEMBL11534385 0.77 GAA (0.50) GAA
SCHEMBL28022787 0.75 GAA (0.48) GAAMEN1KMT2A
SCHEMBL14142393 0.75 GAA (0.48) GAAMEN1KMT2A
SCHEMBL28023447 0.75 GAA (0.48) GAAMEN1KMT2A
SCHEMBL15022119 0.74 ACACB (0.62) GABRR1BLMLTA4HCYP1A2ACE2
SCHEMBL20825612 0.73 BLM (0.54) GABRR1BLMLTA4HCYP1A2ACE2

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-20160190649-A1 ELECTROLYTE FOR LITHIUM SECONDARY BATTERY AND LITHIUM SECONDARY BATTERY EMPLOYING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 2016-06-30 US disclosed