SCHEMBL15438167

SCHEMBL15438167

CC#CC(C(=O)O)P(=O)(OCCCC)OCCCC

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.41
GAA P10253 1/20 0.38
LPAR3 Q9UBY5 4/20 0.37
LPAR1 Q92633 2/20 0.37
LPAR2 Q9HBW0 2/20 0.37
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
P2RY10 O00398 5/20 0.33
GPR34 Q9UPC5 2/20 0.33
TSHR P16473 1/20 0.33
ALDH1A1 P00352 1/20 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
SCHEMBL15438099 0.90 MEN1 (0.36) MEN1KMT2AALDH1A1
SCHEMBL15438490 0.83 CYP1A2 (0.32)
SCHEMBL15438922 0.83 POLB (0.39) CYP3A4GAATSHRALDH1A1
SCHEMBL15438420 0.82 MAPT (0.34) CYP3A4MEN1KMT2AALDH1A1
SCHEMBL15438214 0.82 LPAR3 (0.41) LPAR3LPAR2ALDH1A1
SCHEMBL15438685 0.77 GRIK1 (0.34)
SCHEMBL15439126 0.75 TRPM8 (0.33) LPAR3LPAR2TSHR
SCHEMBL15438915 0.73 CYP2C19 (0.33)
SCHEMBL15438632 0.73
SCHEMBL11799423 0.73 CYP3A4 (0.47) CYP3A4GAALPAR3LPAR1LPAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2698859-B1 NON-AQUEOUS ELECTROLYTIC SOLUTION AND ELECTRICITY-STORAGE DEVICE USING THE SAME UBE INDUSTRIES (JP) 2016-07-27 EP disclosed
US-9384906-B2 Non-aqueous electrolyte solution and electricity-storage device using same UBE INDUSTRIES, LTD. (JP) 2016-07-05 US disclosed
EP-2698859-A1 NON-AQUEOUS ELECTROLYTE SOLUTION AND ELECTRICITY-STORAGE DEVICE USING SAME Ube Industries, Ltd. (JP) 2014-02-19 EP disclosed
US-20140030610-A1 NON-AQUEOUS ELECTROLYTE SOLUTION AND ELECTRICITY-STORAGE DEVICE USING SAME UBE INDUSTRIES, LTD (JP) 2014-01-30 US disclosed