1,3-Butanediol

1,3-Butanediol

SCHEMBL5484496

CC(O)CCO.CCCCP(=O)(O)CCCC.CCCCP(=O)(O)CCCC

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 1/20 0.52
GABRR1 P24046 1/20 0.52
GABBR1 Q9UBS5 1/20 0.52
FDPS P14324 6/20 0.41
TRPM8 Q7Z2W7 2/20 0.39
ALDH1A1 P00352 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
PTPN1 P18031 1/20 0.38
LPAR3 Q9UBY5 3/20 0.38
LPAR2 Q9HBW0 1/20 0.38

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
1,3-Butanediol SCHEMBL5489014 0.88 FDPS (0.37) GABBR2GABRR1GABBR1FDPSTRPM8
Propylene Glycol SCHEMBL5485706 0.86 GABBR2 (0.57) GABBR2GABRR1GABBR1FDPSTRPM8
SCHEMBL5484506 0.83 GABBR2 (0.50) GABBR2GABRR1GABBR1FDPSPTPN1
Ethylene Glycol SCHEMBL5491034 0.81 GABBR2 (0.67) GABBR2GABRR1GABBR1FDPSTRPM8
1,3-Butanediol SCHEMBL5493726 0.79 GABBR2 (0.35) GABBR2GABBR1FDPSALDH1A1TDP1
SCHEMBL2173182 0.79 GABBR2 (0.64) GABBR2GABRR1GABBR1FDPSALDH1A1
1,3-Propanediol SCHEMBL5485229 0.79 GABBR2 (0.64) GABBR2GABRR1GABBR1FDPSALDH1A1
1,4-Butanediol SCHEMBL5486821 0.79 GABBR2 (0.64) GABBR2GABRR1GABBR1FDPSALDH1A1
SCHEMBL1358501 0.79 GABBR2 (0.64) GABBR2GABRR1GABBR1FDPSTRPM8
SCHEMBL497185 0.78 GABBR2 (0.76) GABBR2GABRR1GABBR1FDPSTRPM8

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