SCHEMBL6358357

SCHEMBL6358357

C(OCC1CO1)C1CO1.Cc1c(O)c(C)c(Br)c(-c2c(Br)c(C)c(O)c(C)c2Br)c1Br

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 6/20 0.36
TDP1 Q9NUW8 2/20 0.36
GLA P06280 1/20 0.34

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
SCHEMBL9861678 0.81 TSHR (0.46) TSHRMAPK1SMN1; SMN2ALDH1A1TDP1
Pentabromophenol SCHEMBL18789321 0.80 TSHR (0.45) TSHRMAPK1SMN1; SMN2ALDH1A1TDP1
SCHEMBL6358359 0.75 ALDH1A1 (0.43) TSHRMAPK1SMN1; SMN2ALDH1A1TDP1
SCHEMBL23389356 0.72 HTR1D (0.44) TSHRMAPK1SMN1; SMN2ALDH1A1TDP1
Methyl Alcohol SCHEMBL6913269 0.72 TSHR (0.59) TSHRMAPK1SMN1; SMN2ALDH1A1TDP1
SCHEMBL846071 0.72 ALDH1A1 (0.44) MAPK1ALDH1A1
SCHEMBL1235707 0.71 CA1 (0.52) TSHRMAPK1SMN1; SMN2ALDH1A1TDP1
SCHEMBL3671558 0.71 ALDH1A1 (0.52) TSHRMAPK1SMN1; SMN2ALDH1A1TDP1
SCHEMBL4198438 0.71 TSHR (0.41) TSHRMAPK1SMN1; SMN2ALDH1A1TDP1
SCHEMBL28045493 0.71 ALDH1A1 (0.52) TSHRMAPK1SMN1; SMN2ALDH1A1TDP1

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-20030149219-A1 Process for manufacturing a hydroxyester derivative intermediate and epoxy resins prepared therefrom BORIACK CLINTON J (US) 2003-08-07 US claimed
US-20020045707-A1 Process for manufacturing a hydroxyester derivative intermediate and epoxy resins prepared therefrom DOW GLOBAL TECHNOLOGIES INC. 2002-04-18 US claimed
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
US-20020045707-A1 Process for manufacturing a hydroxyester derivative intermediate and epoxy resins prepared therefrom DOW GLOBAL TECHNOLOGIES INC. 2002-04-18 US disclosed