SCHEMBL1830209

SCHEMBL1830209

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

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.47
PGD P52209 2/20 0.39
CPT2 P23786 1/20 0.34
ACLY P53396 1/20 0.34
CYP2C9 P11712 1/20 0.32
PDE4A P27815 1/20 0.32
ALDH1A1 P00352 2/20 0.32
TP53 P04637 1/20 0.32

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
SCHEMBL722150 0.84 TSHR (0.43) TSHRPGDCPT2ACLYCYP2C9
SCHEMBL5356598 0.84 TSHR (0.43) TSHRPGDCPT2ACLYCYP2C9
SCHEMBL30832752 0.77 PGD (0.37) TSHRPGDCYP2C9PDE4AALDH1A1
SCHEMBL7683554 0.77 TSHR (0.53) TSHRPGDCPT2ACLYCYP2C9
SCHEMBL5902283 0.76 TSHR (0.45) TSHRPGDCPT2ACLYCYP2C9
Cadaverine Tartrate SCHEMBL28243571 0.71 TSHR (0.91) TSHRCYP2C9PDE4AALDH1A1TP53
Cadaverine Tartrate SCHEMBL5434466 0.71 TSHR (0.91) TSHRCYP2C9PDE4AALDH1A1TP53
SCHEMBL721349 0.71 CPT2 (0.48) TSHRCPT2ACLYALDH1A1TP53
SCHEMBL32676550 0.70 TSHR (0.39) TSHRPGDCPT2ACLY
SCHEMBL7123845 0.69 TSHR (0.50) TSHRPGDCYP2C9PDE4AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109985000-B Kelibuo microemulsion composition 苏州旺山旺水生物医药有限公司 2022-09-02 CN claimed
EP-1540038-B1 METHOD FOR PREPARING A POLYCARBOXYLIC COMPOSITION COMPRISING AN ELECTROCHEMICAL OXIDATION STAGE OF A MONOSACCHARIDE COMPOSITION ROQUETTE FRERES (FR) 2011-05-11 EP claimed
US-7728170-B2 Method for preparing a polycarboxylic composition comprising an electrochemical oxidation stage of a monosaccharide composition ROQUETTE FRERES (FR) 2010-06-01 US claimed
US-20050252785-A1 Method for preparing a polycarboxylic composition comprising an electrochemical oxidation stage of a monosaccharide composition ROQUETTE FRERES (FR) 2005-11-17 US claimed
CN-109985000-B Kelibuo microemulsion composition 苏州旺山旺水生物医药有限公司 2022-09-02 CN disclosed
CN-101896492-A Tetriacyclodipyranyl coumarins and the anti-HIV and anti-tuberculosis uses thereof INST OF MATARIA MEDICA CHINESE 2010-11-24 CN disclosed
US-7728170-B2 Method for preparing a polycarboxylic composition comprising an electrochemical oxidation stage of a monosaccharide composition ROQUETTE FRERES (FR) 2010-06-01 US disclosed
US-20050252785-A1 Method for preparing a polycarboxylic composition comprising an electrochemical oxidation stage of a monosaccharide composition ROQUETTE FRERES (FR) 2005-11-17 US disclosed