SCHEMBL4383543

SCHEMBL4383543

C=CC(=O)OCCOC(=O)C1C2CC(SCCC(=O)O)C(C2)C1C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.34
ALDH1A1 P00352 3/20 0.34
TP53 P04637 2/20 0.34
HIF1A Q16665 2/20 0.34
HSD17B10 Q99714 1/20 0.34
CYP3A4 P08684 1/20 0.31
THRB P10828 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
SCHEMBL4388134 0.83 TSHR (0.41) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL4382168 0.80 TSHR (0.34) TSHRHSD17B10
SCHEMBL4388354 0.78 TSHR (0.35) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL4381392 0.78 PPM1B (0.36) ALDH1A1
SCHEMBL4389262 0.74 THRB (0.37) THRB
SCHEMBL4383483 0.73 MAPK1 (0.34)
SCHEMBL4384797 0.73
SCHEMBL23963473 0.72 ALDH1A1 (0.46) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL4389201 0.72 ALDH1A1 (0.31) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL4384033 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7629424-B2 Metal-containing compositions and method of making same PRYOG, LLC (US) 2009-12-08 US claimed
US-20080015278-A1 Metal-Containing Compositions and Method of Making Same PRYOG, LLC 2008-01-17 US claimed
WO-2007070092-A2 METAL-CONTAINING COMPOSITIONS AND METHOD OF MAKING SAME PRYOG, LLC (US) 2007-06-21 WO claimed
US-7629424-B2 Metal-containing compositions and method of making same PRYOG, LLC (US) 2009-12-08 US disclosed
US-20080015278-A1 Metal-Containing Compositions and Method of Making Same PRYOG, LLC 2008-01-17 US disclosed
WO-2007070092-A2 METAL-CONTAINING COMPOSITIONS AND METHOD OF MAKING SAME PRYOG, LLC (US) 2007-06-21 WO disclosed