SCHEMBL4301757

SCHEMBL4301757

C#CC(CCC(C)C)OC(=O)OC

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.30
CA1 P00915 1/20 0.30
POLB P06746 1/20 0.30
CTDSP1 Q9GZU7 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
SCHEMBL4301205 0.92 CA1 (0.32) CA1
SCHEMBL4298934 0.82 HDAC7 (0.33) CA1
SCHEMBL4300648 0.82 TSHR (0.39) CA1
SCHEMBL2290654 0.78 CA1 (0.31) CA1
SCHEMBL4301873 0.74 CHRM1 (0.34)
SCHEMBL2105377 0.70
SCHEMBL4306987 0.69
SCHEMBL14775527 0.69 ALDH1A1 (0.31)
SCHEMBL4304747 0.67 NPC1 (0.44)
SCHEMBL15950042 0.67 SMN1; SMN2 (0.33)

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7629085-B2 sulfur-containing acid ester and an alkyne-containing compound; excellent battery characteristics in cycle performance, electric capacity and storage property; e.g. 2-propynyl methyl carbonate and 1,3-propanesultone UBE INDUSTRIES, LTD. (JP) 2009-12-08 US disclosed
US-20070231707-A1 Nonaqueous Electrolytic Solution and Lithium Secondary Battery MU IONIC SOLUTIONS CORPORATION (JP) 2007-10-04 US disclosed
EP-1772924-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND LITHIUM SECONDARY BATTERY Ube Industries, Ltd. (JP) 2007-04-11 EP disclosed