SCHEMBL5489137

SCHEMBL5489137

CC(C)CP(=O)(O)CC(C)C.CC(C)CP(=O)(O)CC(C)C.CC(C)CP(=O)(O)CC(C)C.OCCC(O)CO

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.52
GABRR1 P24046 1/20 0.32
GABBR2 O75899 1/20 0.32
GABBR1 Q9UBS5 1/20 0.32
ALDH1A1 P00352 3/20 0.31
TDP1 Q9NUW8 1/20 0.31
LMNA P02545 2/20 0.31
TSHR P16473 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
Glycerin SCHEMBL5484503 0.87 LMNA (0.43) THRBGABRR1GABBR2GABBR1ALDH1A1
1,3-Butanediol SCHEMBL5486355 0.83 ALDH1A1 (0.33) GABRR1GABBR2GABBR1ALDH1A1TDP1
SCHEMBL5490426 0.82 GABRR1 (0.33) GABRR1GABBR2GABBR1ALDH1A1TDP1
SCHEMBL5488688 0.81 THRB (0.65) THRBGABRR1GABBR2GABBR1ALDH1A1
Propylene Glycol SCHEMBL5488189 0.81 TDP1 (0.50) GABRR1GABBR2GABBR1TDP1TSHR
Phosphoric Acid SCHEMBL10535582 0.80 THRB (0.72) THRBGABRR1GABBR2GABBR1ALDH1A1
Ethylene Glycol SCHEMBL5484412 0.80 ANPEP (0.37) GABRR1GABBR2GABBR1TSHR
SCHEMBL5488321 0.79 THRB (0.56) THRBGABRR1GABBR2GABBR1ALDH1A1
SCHEMBL5488154 0.79 THRB (0.56) THRBGABRR1GABBR2GABBR1ALDH1A1
E968 SCHEMBL5491287 0.79 TSHR (0.36) GABRR1GABBR2GABBR1TDP1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070087270-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE SOLUTION SECONDARY BATTERY EMPLOYING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2007-04-19 US disclosed
US-7169511-B2 Nonaqueous electrolyte solution and nonaqueous electrolyte solution secondary battery employing the same MITSUBISHI CHEMICAL CORPORATION (JP) 2007-01-30 US disclosed
EP-1555711-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS ELECTROLYTE SECONDARY BATTERY CONTAINING THE SAME Mitsubishi Chemical Corporation (JP) 2005-07-20 EP disclosed
US-20050014071-A1 Nonaqueous electrolyte solution and nonaqueous electrolyte solution secondary battery employing the same MITSUBISHI CHEMICAL CORPORATION (JP) 2005-01-20 US disclosed