SCHEMBL4446576

SCHEMBL4446576

CCCCc1ccccc1OP(=O)(O)C(C=O)C=O

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.44
THRB P10828 1/20 0.44
TSHR P16473 1/20 0.38
ALOX5 P09917 1/20 0.38
PTGS2 P35354 1/20 0.38
CETP P11597 3/20 0.37
PPARA Q07869 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
SCHEMBL4454130 0.92 THRA (0.37) THRATHRB
SCHEMBL4454080 0.87 MAPT (0.39) TSHR
SCHEMBL1100481 0.81 THRA (0.48) THRATHRBALOX5PTGS2PPARA
SCHEMBL31012114 0.81 THRA (0.48) THRATHRBALOX5PTGS2PPARA
SCHEMBL11754621 0.80 THRA (0.47) THRATHRBTSHRALOX5PTGS2
SCHEMBL4453620 0.78 THRA (0.47) THRATHRBALOX5PTGS2CETP
SCHEMBL29761930 0.78 THRA (0.47) THRATHRBTSHRALOX5PTGS2
SCHEMBL1592695 0.78 THRA (0.47) THRATHRBTSHRALOX5PTGS2
SCHEMBL9557480 0.77 THRA (0.43) THRATHRBTSHRALOX5PTGS2
SCHEMBL31012116 0.77 THRA (0.54) THRATHRBALOX5PTGS2CETP

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
US-7612148-B2 Hydrogenation catalyst composition and method for hydrogenation of conjugated diene polymer TSRC CORPORATION (TW) 2009-11-03 US disclosed
US-20080146733-A1 Hydrogenation catalyst composition and method for hydrogenation of conjugated diene polymer TSRC CORPORATION (TW) 2008-06-19 US disclosed