1,3-Butanediol

1,3-Butanediol

SCHEMBL5486355

CC(C)CP(=O)(O)CC(C)C.CC(C)CP(=O)(O)CC(C)C.CC(O)CCO

nearest known ligand 0.44

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Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
FDPS P14324 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
TSHR P16473 1/20 0.33
GRM3 Q14832 2/20 0.31
ANPEP P15144 3/20 0.31
LAP3 P28838 2/20 0.31
ERAP1 Q9NZ08 1/20 0.31
GABBR2 O75899 2/20 0.30
GABBR1 Q9UBS5 2/20 0.30
GABRR1 P24046 1/20 0.30

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
Propylene Glycol SCHEMBL5488189 0.84 TDP1 (0.50) TDP1TRPM8TSHRGRM3ANPEP
Ethylene Glycol SCHEMBL5484412 0.84 ANPEP (0.37) TRPM8TSHRGRM3ANPEPLAP3
SCHEMBL5489137 0.83 THRB (0.52) ALDH1A1TDP1TSHRGABBR2GABBR1
SCHEMBL1358008 0.81 ANPEP (0.36) TDP1TRPM8TSHRGRM3ANPEP
1,3-Butanediol SCHEMBL5485302 0.81 GABBR2 (0.39) ALDH1A1TDP1FDPSTSHRANPEP
SCHEMBL331939 0.81 ANPEP (0.42) TRPM8GRM3ANPEPLAP3ERAP1
1,3-Butanediol SCHEMBL5493726 0.80 GABBR2 (0.35) ALDH1A1TDP1FDPSTSHRGABBR2
1,4-Butanediol SCHEMBL5494698 0.79 TRPM8 (0.37) ALDH1A1TDP1TRPM8TSHRGRM3
1,3-Propanediol SCHEMBL5491385 0.79 TRPM8 (0.37) ALDH1A1TDP1FDPSTRPM8TSHR
SCHEMBL2253835 0.78 ANPEP (0.40) TRPM8GRM3ANPEPLAP3ERAP1

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