SCHEMBL4645429

SCHEMBL4645429

CCC(c1cc(Br)c(OCC2CO2)c(Br)c1)c1cc(Br)c(OC(Oc2c(Br)cc(C(CC)c3cc(Br)c(OCC4CO4)c(Br)c3)cc2Br)C(C)O)c(Br)c1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.33
ALDH1A1 P00352 2/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HIF1A Q16665 1/20 0.32
THRA P10827 3/20 0.32
THRB P10828 3/20 0.32
GLA P06280 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
SCHEMBL234098 0.89 TDP1 (0.40) TDP1ALDH1A1TP53CYP3A4TSHR
SCHEMBL5691879 0.84 THRA (0.32) ALDH1A1TP53CYP3A4TSHRSMN1; SMN2
SCHEMBL4758374 0.82 ALDH1A1 (0.44) TDP1ALDH1A1TP53CYP3A4TSHR
SCHEMBL5704200 0.78 ALDH1A1 (0.41) TDP1ALDH1A1TP53CYP3A4TSHR
SCHEMBL234097 0.73 ALDH1A1 (0.36) TDP1ALDH1A1TP53CYP3A4TSHR
SCHEMBL28585211 0.72 ALDH1A1 (0.36) TDP1ALDH1A1TP53CYP3A4TSHR
SCHEMBL9813445 0.71 ALDH1A1 (0.38) TDP1ALDH1A1TP53CYP3A4TSHR
SCHEMBL19184849 0.70 ALDH1A1 (0.47) TDP1ALDH1A1TP53CYP3A4TSHR
SCHEMBL1262594 0.70 ALDH1A1 (0.46) TDP1ALDH1A1TP53CYP3A4TSHR
SCHEMBL9738330 0.70 ALDH1A1 (0.41) TDP1ALDH1A1TP53CYP3A4TSHR

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-1954732-A1 COMPOSITIONS FOR BRIGHTNESS ENHANCING FILMS General Electric Company (US) 2008-08-13 EP disclosed
EP-1858994-A1 CURABLE ACRYLATE COMPOSITIONS, METHODS OF MAKING THE COMPOSITIONS AND ARTICLES MADE THEREFROM General Electric Company (US) 2007-11-28 EP disclosed
WO-2007001811-A1 COMPOSITIONS FOR BRIGHTNESS ENHANCING FILMS GENERAL ELECTRIC COMPANY (US) 2007-01-04 WO disclosed
WO-2006096643-A1 CURABLE ACRYLATE COMPOSITIONS, METHODS OF MAKING THE COMPOSITIONS AND ARTICLES MADE THEREFROM GENERAL ELECTRIC COMPANY (US) 2006-09-14 WO disclosed