SCHEMBL15438480

SCHEMBL15438480

CC#CC(F)(C(=O)O)P(=O)(c1ccccc1)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.40
ESR1 P03372 1/20 0.38
CA2 P00918 1/20 0.35
CA4 P22748 1/20 0.35
CA5A P35218 1/20 0.35
PTPN1 P18031 1/20 0.35
TSHR P16473 2/20 0.35
USP2 O75604 1/20 0.34
ALDH1A1 P00352 2/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
PKM P14618 1/20 0.34
NPSR1 Q6W5P4 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
POLB P06746 1/20 0.33
PGK1 P00558 1/20 0.33
PGK2 P07205 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL15438679 0.78 TSHR (0.40) KDM4EESR1CA2CA4CA5A
SCHEMBL15438474 0.74 KDM4E (0.42) KDM4EESR1CA2CA4CA5A
SCHEMBL15438938 0.72
SCHEMBL15438430 0.68
SCHEMBL15438090 0.68
SCHEMBL11991023 0.68 TSHR (0.45) KDM4EESR1CA2CA4CA5A
SCHEMBL9777478 0.67 CA2 (0.46) KDM4EESR1CA2CA4CA5A
SCHEMBL15439293 0.67 PTPN1 (0.31) PTPN1
SCHEMBL11035324 0.65 PTPN1 (0.54) KDM4EESR1CA2CA4CA5A
SCHEMBL15438111 0.64 TSHR (0.33) TSHRALDH1A1

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