SCHEMBL15438564

SCHEMBL15438564

C#CCOC(=O)CP(=O)(c1ccc(F)cc1)c1ccc(F)cc1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
NPC1 O15118 2/20 0.40
GSTP1 P09211 1/20 0.37
GAA P10253 1/20 0.37
USP2 O75604 1/20 0.36
ALDH1A1 P00352 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
TSHR P16473 2/20 0.35
CA12 O43570 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
CA14 Q9ULX7 1/20 0.34
PTPN1 P18031 1/20 0.33
RAB9A P51151 1/20 0.33
PYCR1 P32322 1/20 0.32
KCNQ4 P56696 1/20 0.32
MAOA P21397 1/20 0.31
MAOB P27338 1/20 0.31

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
SCHEMBL15439132 0.86 GAA (0.54) POLBNPC1GSTP1GAAUSP2
SCHEMBL15438170 0.86 POLB (0.58) POLBNPC1GAAUSP2ALDH1A1
SCHEMBL15438297 0.79 NPC1 (0.38) NPC1GSTP1ALDH1A1TAAR1TSHR
SCHEMBL15438101 0.77 POLB (0.41) POLBGAAUSP2ALDH1A1
SCHEMBL15439157 0.77 POLB (0.41) POLBGAAUSP2KCNQ4
SCHEMBL15438916 0.71 ALDH1A1 (0.49) POLBNPC1GSTP1GAAUSP2
SCHEMBL2832918 0.69 CA1 (0.63) NPC1ALDH1A1TSHRCA12CA1
SCHEMBL15438085 0.69 NPSR1 (0.51) POLBNPC1GSTP1GAAUSP2
SCHEMBL15439104 0.69 GSTP1 (0.38) POLBNPC1GSTP1ALDH1A1TAAR1
SCHEMBL17264967 0.68 NPC1 (0.46) NPC1ALDH1A1CA12CA1CA2

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