SCHEMBL6358359

SCHEMBL6358359

Cc1c(Br)c(-c2c(Br)c(C)c(OCC3CO3)c(C)c2Br)c(Br)c(C)c1OCC1CO1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.43
GLA P06280 1/20 0.43
TDP1 Q9NUW8 2/20 0.39
TSHR P16473 5/20 0.38
TP53 P04637 3/20 0.38
HIF1A Q16665 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CYP3A4 P08684 1/20 0.38
MAPT P10636 2/20 0.38
HPGD P15428 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP1A2 P05177 1/20 0.38
PPARG P37231 1/20 0.38
PKM P14618 2/20 0.34
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
MAPK1 P28482 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
SCHEMBL9813431 0.86 ALDH1A1 (0.41) ALDH1A1GLATDP1TSHRTP53
SCHEMBL19342768 0.84 ALDH1A1 (0.52) ALDH1A1GLATDP1TSHRTP53
SCHEMBL10339569 0.83 ALDH1A1 (0.39) ALDH1A1GLATDP1TSHRTP53
SCHEMBL9861683 0.80 TDP1 (0.47) ALDH1A1GLATDP1TSHRTP53
SCHEMBL10754638 0.78 ALDH1A1 (0.38) ALDH1A1GLATDP1TSHRTP53
SCHEMBL18297877 0.78 TDP1 (0.45) ALDH1A1GLATDP1TSHRTP53
SCHEMBL7760750 0.76 ALDH1A1 (0.46) ALDH1A1GLATDP1TSHRTP53
SCHEMBL6358357 0.75 TSHR (0.39) ALDH1A1GLATDP1TSHRSMN1; SMN2
SCHEMBL8607801 0.75 ALDH1A1 (0.39) ALDH1A1GLATDP1TSHRTP53
SCHEMBL21870056 0.75 TDP1 (0.42) ALDH1A1GLATDP1TSHRTP53

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 7 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
US-4268429-A Novel flame retardant polycarbonate compositions GENERAL ELECTRIC COMPANY (US) 1981-05-19 US disclosed