SCHEMBL15438657

SCHEMBL15438657

C#CCOC(=O)C[P]1(O)OCCCO1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.33
POLB P06746 1/20 0.33
GSTP1 P09211 1/20 0.33
NPC1 O15118 1/20 0.32
CYP1A2 P05177 1/20 0.31
CHRM2 P08172 1/20 0.31
CHRM4 P08173 1/20 0.31
CHRM5 P08912 1/20 0.31
CYP2D6 P10635 1/20 0.31
CHRM1 P11229 1/20 0.31
NFKB1 P19838 1/20 0.31
CHRM3 P20309 1/20 0.31
THPO P40225 1/20 0.31
LMNA P02545 1/20 0.30
PMP22 Q01453 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
SCHEMBL15438498 0.93 GSTP1 (0.34) L3MBTL1POLBGSTP1NPC1CYP1A2
SCHEMBL15438653 0.83 POLB (0.33) L3MBTL1POLBGSTP1NPC1
SCHEMBL15438066 0.81 GSTP1 (0.31) GSTP1NPC1
SCHEMBL15438640 0.80 GSTP1 (0.31) GSTP1
SCHEMBL15438391 0.79 MGAM (0.41) L3MBTL1POLBCYP1A2LMNA
SCHEMBL15438062 0.78 GSTP1 (0.31) GSTP1NPC1
SCHEMBL15438636 0.76 GSTP1 (0.31) GSTP1
SCHEMBL15438495 0.76 GSTP1 (0.34) L3MBTL1POLBGSTP1NPC1
SCHEMBL15438435 0.75 L3MBTL1 (0.33) L3MBTL1POLBGSTP1NPC1
SCHEMBL15438663 0.74 TSHR (0.37)

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