1,3-Butanediol

1,3-Butanediol

SCHEMBL5490883

CC(O)CCO.CCC(C)P(=O)(O)C(C)CC.CCC(C)P(=O)(O)C(C)CC

nearest known ligand 0.38

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Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 6/20 0.38
TSHR P16473 1/20 0.36
GABBR2 O75899 1/20 0.33
GABBR1 Q9UBS5 1/20 0.33
FDPS P14324 3/20 0.32
ALDH1A1 P00352 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
LAP3 P28838 1/20 0.32
METAP1 P53582 1/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP3 P08254 1/20 0.31
PTPN1 P18031 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 SCHEMBL5485159 0.85 TDP1 (0.48) TRPM8TSHRGABBR2GABBR1FDPS
Ethylene Glycol SCHEMBL5490587 0.84 TRPM8 (0.39) TRPM8TSHRGABBR2GABBR1FDPS
SCHEMBL5488728 0.84 THRB (0.50) TRPM8GABBR2GABBR1FDPSALDH1A1
SCHEMBL497859 0.82 TRPM8 (0.44) TRPM8TSHRGABBR2GABBR1FDPS
1,3-Propanediol SCHEMBL5486221 0.80 TRPM8 (0.41) TRPM8GABBR2GABBR1FDPSALDH1A1
1,3-Butanediol SCHEMBL5489034 0.80 ALDH1A1 (0.35) TSHRGABBR2GABBR1FDPSALDH1A1
1,4-Butanediol SCHEMBL5493763 0.80 TRPM8 (0.41) TRPM8TSHRGABBR2GABBR1FDPS
1,3-Butanediol SCHEMBL5485302 0.80 GABBR2 (0.39) TSHRGABBR2GABBR1FDPSALDH1A1
Hydrochloric Acid SCHEMBL28552582 0.79 TRPM8 (0.42) TRPM8TSHRGABBR2GABBR1FDPS
Bromide SCHEMBL28553396 0.79 TRPM8 (0.42) TRPM8TSHRGABBR2GABBR1FDPS

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