SCHEMBL5494733

SCHEMBL5494733

CCCP(=O)(O)CCC.CCCP(=O)(O)CCC.CCCP(=O)(O)CCC.OCCC(O)CO

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.52
FDPS P14324 6/20 0.35
GABBR2 O75899 1/20 0.35
GABRR1 P24046 1/20 0.35
GABBR1 Q9UBS5 1/20 0.35
PTPN1 P18031 1/20 0.33
PPARD Q03181 1/20 0.32
ALDH1A1 P00352 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
METAP1 P53582 1/20 0.31
LMNA P02545 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
SCHEMBL5484506 0.89 GABBR2 (0.50) THRBFDPSGABBR2GABRR1GABBR1
Glycerin SCHEMBL5485294 0.87 LMNA (0.43) FDPSGABBR2GABRR1GABBR1PPARD
SCHEMBL5488321 0.83 THRB (0.56) THRBFDPSGABBR2GABRR1GABBR1
SCHEMBL5488250 0.83 GABBR2 (0.38) FDPSGABBR2GABRR1GABBR1ALDH1A1
1,3-Butanediol SCHEMBL5489014 0.82 FDPS (0.37) FDPSGABBR2GABRR1GABBR1PTPN1
SCHEMBL5488688 0.81 THRB (0.65) THRBFDPSGABBR2GABRR1GABBR1
Phosphoric Acid SCHEMBL10535582 0.80 THRB (0.72) THRBGABBR2GABRR1GABBR1ALDH1A1
E968 SCHEMBL5489061 0.79 GABBR2 (0.40) FDPSGABBR2GABRR1GABBR1PTPN1
Propylene Glycol SCHEMBL5485220 0.79 TDP1 (0.48) FDPSGABBR2GABRR1GABBR1TDP1
Ethylene Glycol SCHEMBL5490395 0.78 GABBR2 (0.46) FDPSGABBR2GABRR1GABBR1PPARD

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