SCHEMBL4912293

SCHEMBL4912293

C=CC(=O)Oc1c(O)c(CC)c(Br)c(Br)c1Br

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
THRB P10828 3/20 0.36
CA2 P00918 2/20 0.34
HPGD P15428 1/20 0.32
TSHR P16473 1/20 0.32
THRA P10827 1/20 0.31
CA1 P00915 1/20 0.31
CA4 P22748 1/20 0.31
CA6 P23280 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
SCHEMBL42339 0.77 THRB (0.36) THRBHPGDTSHRTHRA
SCHEMBL6435653 0.77 THRB (0.36) THRBCA2HPGDTSHRTHRA
SCHEMBL10626911 0.74 THRB (0.38) THRBCA2HPGDTSHRTHRA
SCHEMBL31339995 0.74 THRB (0.39) THRBCA2HPGDTSHRTHRA
SCHEMBL5587579 0.73 CA2 (0.38) CA2CA1CA4CA6
SCHEMBL29854216 0.71 THRB (0.37) THRBHPGDTSHRTHRA
SCHEMBL10440134 0.70 THRB (0.40) THRBHPGDTSHRTHRA
SCHEMBL27941274 0.69 THRB (0.39) THRBHPGDTSHRTHRA
SCHEMBL10409153 0.69 THRB (0.32) THRB
SCHEMBL6330756 0.69 THRB (0.36) THRBCA2HPGDTSHRTHRA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080161444-A1 ORGANIC-INORGANIC COMPOSITE FORMING MATERIAL, ORGANIC-INORGANIC COMPOSITE AND OPTICAL ELEMENT USING THE SAME SANYO ELECTRIC CO., LTD. (JP) 2008-07-03 US disclosed