SCHEMBL27713136

SCHEMBL27713136

COCOc1ccc(Cc2c(C)cc(S(=O)(=O)OP(C)(=O)O)cc2C)cc1C(C)C

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
THRB P10828 18/20 0.45
THRA P10827 17/20 0.45
HTT P42858 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
SCHEMBL3149020 0.85 THRB (0.48) THRBTHRAHTT
SCHEMBL27666369 0.83 THRB (0.61) THRBTHRA
SCHEMBL282942 0.83 THRB (0.45) THRBTHRAHTT
SCHEMBL3155979 0.83 THRB (0.47) THRBTHRA
SCHEMBL3153304 0.83 THRB (0.49) THRBTHRA
SCHEMBL282291 0.82 THRB (0.43) THRBTHRAHTT
SCHEMBL4963572 0.81 THRB (0.46) THRBTHRA
SCHEMBL4963579 0.81 THRB (0.46) THRBTHRA
SCHEMBL3160054 0.80 THRB (0.71) THRBTHRA
SCHEMBL27645323 0.79 THRB (0.40) THRBTHRAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101189248-A Novel phosphorus-containing thyromimetics METABASIS THERAPEUTICS INC (US) 2008-05-28 CN disclosed
CN-101180097-A Novel phosphinic acid-containing thyromimetics METABASIS THERAPEUTICS INC (US) 2008-05-14 CN disclosed