Benzoic Acid 2,3-Epoxypropyl Ester

Benzoic Acid 2,3-Epoxypropyl Ester

SCHEMBL6359889

C.O=C(OCC1CO1)c1ccccc1

nearest known ligand 0.79

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Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.55
MGLL Q99685 4/20 0.54
CHRNB2 P17787 1/20 0.52
CHRNA5 P30532 1/20 0.52
CHRNA7 P36544 1/20 0.52
CHRNA4 P43681 1/20 0.52
TDP1 Q9NUW8 1/20 0.50
TSHR P16473 1/20 0.49

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
Benzoic Acid 2,3-Epoxypropyl Ester SCHEMBL5604855 0.98 NPC1 (0.56) NPC1MGLLCHRNB2CHRNA5CHRNA7
Benzoic Acid 2,3-Epoxypropyl Ester SCHEMBL133986 0.98 NPC1 (0.56) NPC1MGLLCHRNB2CHRNA5CHRNA7
Benzoic Acid 2,3-Epoxypropyl Ester SCHEMBL21245419 0.98 NPC1 (0.56) NPC1MGLLCHRNB2CHRNA5CHRNA7
Benzoic Acid 2,3-Epoxypropyl Ester SCHEMBL14570069 0.98 NPC1 (0.56) NPC1MGLLCHRNB2CHRNA5CHRNA7
Benzoic Acid 2,3-Epoxypropyl Ester SCHEMBL6358027 0.95 CHRNB2 (0.55) NPC1MGLLCHRNB2CHRNA5CHRNA7
Benzoic Acid 2,3-Epoxypropyl Ester SCHEMBL28184062 0.93 NPC1 (0.52) NPC1MGLLCHRNB2CHRNA5CHRNA7
Benzoic Acid 2,3-Epoxypropyl Ester SCHEMBL19837666 0.93 NPC1 (0.52) NPC1MGLLCHRNB2CHRNA5CHRNA7
Benzoic Acid 2,3-Epoxypropyl Ester SCHEMBL283022 0.89 NPC1 (0.52) NPC1MGLLCHRNB2CHRNA5CHRNA7
SCHEMBL22357194 0.89 MGLL (0.47) NPC1MGLLCHRNB2CHRNA5CHRNA7
SCHEMBL38933 0.89 MGLL (0.47) NPC1MGLLCHRNB2CHRNA5CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050165201-A1 Epoxidizing an alpha-halohydrin intermediate from a halide substitution-deesterification of an alpha -hydroxy ester derivative obtained by the coupling reaction of a phenol and a glycidyl ester BORIACK CLINTON J (US) 2005-07-28 US disclosed
US-20030149219-A1 Process for manufacturing a hydroxyester derivative intermediate and epoxy resins prepared therefrom BORIACK CLINTON J (US) 2003-08-07 US disclosed
US-6534621-B2 Epoxidizing an alpha-halohydrin intermediate produced from an in situ halide substitution-deesterification of an alpha-hydroxy ester derivative DOW GLOBAL TECHNOLOGIES INC. 2003-03-18 US disclosed
EP-1290058-A2 PROCESS FOR MANUFACTURING A HYDROXYESTER DERIVATIVE INTERMEDIATE AND EPOXY RESINS PREPARED THEREFROM DOW GLOBAL TECHNOLOGIES INC. (US) 2003-03-12 EP disclosed
US-20020045707-A1 Process for manufacturing a hydroxyester derivative intermediate and epoxy resins prepared therefrom DOW GLOBAL TECHNOLOGIES INC. 2002-04-18 US disclosed
WO-2001088013-A2 PROCESS FOR MANUFACTURING A HYDROXYESTER DERIVATIVE INTERMEDIATE AND EPOXY RESINS PREPARED THEREFROM DOW GLOBAL TECHNOLOGIES INC (US) 2001-11-22 WO disclosed