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SCHEMBL5722751

SCHEMBL5722751

CCS(=O)(=O)Nc1cc(C)cc(COc2c(Br)cc(CC(F)C(=O)O)cc2Br)c1.CCS(=O)(=O)Nc1cc(Cl)cc(COc2c(Br)cc(CC(F)C(=O)O)cc2Br)c1.CCS(=O)(=O)Nc1cc(Cl)cc(COc2c(Br)cc(NC(=O)CC(=O)O)cc2Br)c1

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 7/20 0.34
▸ THRA P10827 6/20 0.34
▸ DHODH Q02127 2/20 0.31
▸ FFAR1 O14842 1/20 0.30

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
SCHEMBL5118868 0.88 THRB (0.39) THRBTHRAFFAR1
SCHEMBL5110522 0.88 THRB (0.40) THRBTHRAFFAR1
SCHEMBL5722478 0.86 THRB (0.37) THRBTHRADHODHFFAR1
SCHEMBL5112556 0.86 THRB (0.40) THRBTHRADHODH
SCHEMBL5117744 0.86 THRB (0.41) THRBTHRADHODH
SCHEMBL5723850 0.84 THRB (0.38) THRBTHRADHODH
SCHEMBL5722681 0.83 THRB (0.38) THRBTHRADHODH
SCHEMBL5115410 0.82 THRB (0.39) THRBTHRADHODHFFAR1
SCHEMBL5111457 0.82 THRB (0.40) THRBTHRADHODHFFAR1
SCHEMBL5722610 0.82 THRA (0.40) THRBTHRAFFAR1

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
EP-1732532-A1 NOVEL PHARMACEUTICAL COMPOSITIONS COMPRISING AGONISTS OF THE THYROID RECEPTOR KARO BIO AB (SE) 2006-12-20 — — EP disclosed
WO-2005092316-A1 NOVEL PHARMACEUTICAL COMPOSITIONS COMPRISING AGONISTS OF THE THYROID RECEPTOR KARO BIO AB (SE) 2005-10-06 — — WO disclosed