SCHEMBL5704237

SCHEMBL5704237

C=C(C)C(=O)OCCOCCOc1c(Br)cc(Br)cc1Br

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
THRB P10828 8/20 0.49
POLB P06746 2/20 0.38
APEX1 P27695 1/20 0.38
HTT P42858 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
THRA P10827 6/20 0.38
TSHR P16473 3/20 0.37
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 3/20 0.36
GAA P10253 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL3413337 0.96 THRB (0.45) THRBPOLBAPEX1HTTTDP1
SCHEMBL10604787 0.88 TSHR (0.46) THRBPOLBAPEX1HTTTDP1
SCHEMBL11168121 0.84 THRB (0.44) THRBPOLBAPEX1HTTTDP1
SCHEMBL11175137 0.84 THRB (0.42) THRBPOLBAPEX1HTTTDP1
SCHEMBL7062178 0.84 TSHR (0.40) THRBPOLBAPEX1HTTTDP1
SCHEMBL9579758 0.83 THRB (0.41) THRBPOLBAPEX1HTTTDP1
SCHEMBL5292693 0.82 THRB (0.41) THRBPOLBAPEX1HTTTDP1
SCHEMBL7218047 0.82 THRB (0.51) THRBPOLBAPEX1HTTTDP1
SCHEMBL672151 0.82 ALDH1A1 (0.43) THRBPOLBAPEX1HTTTDP1
SCHEMBL22654587 0.81 THRB (0.50) THRBPOLBAPEX1HTTTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1689800-A1 FLAME RETARDANT RADIATION CURABLE COMPOSITIONS DSM IP Assets B.V. (NL) 2006-08-16 EP disclosed
US-20050209357-A1 Flame retardant radiation curable compositions DSM IP ASSETS B.V. (NL) 2005-09-22 US disclosed
WO-2005054330-A1 FLAME RETARDANT RADIATION CURABLE COMPOSITIONS DSM IP ASSETS B.V. (NL) 2005-06-16 WO disclosed