1,4-Butanediol

1,4-Butanediol

SCHEMBL5485175

CCCP(=O)(O)CCC.CCCP(=O)(O)CCC.OCCCCO

nearest known ligand 0.60

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GABBR2 O75899 2/20 0.48
GABBR1 Q9UBS5 2/20 0.48
GABRR1 P24046 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
LMNA P02545 2/20 0.46
ALDH1A1 P00352 2/20 0.46
HSD17B10 Q99714 1/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TSHR P16473 1/20 0.46
LPAR3 Q9UBY5 3/20 0.42
LPAR2 Q9HBW0 1/20 0.42
PPARD Q03181 2/20 0.39
CETP P11597 1/20 0.36
FDPS P14324 1/20 0.36

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-Propanediol SCHEMBL5490398 0.95 GABBR2 (0.48) GABBR2GABBR1GABRR1SMN1; SMN2LMNA
SCHEMBL2171411 0.92 GABBR2 (0.52) GABBR2GABBR1GABRR1SMN1; SMN2LMNA
Ethylene Glycol SCHEMBL5490395 0.89 GABBR2 (0.46) GABBR2GABBR1GABRR1ALDH1A1LPAR3
1,4-Butanediol SCHEMBL5486821 0.87 GABBR2 (0.64) GABBR2GABBR1GABRR1SMN1; SMN2LMNA
SCHEMBL1359783 0.86
SCHEMBL497156 0.86
SCHEMBL18378696 0.83 GABBR2 (0.50) GABBR2GABBR1GABRR1LPAR3LPAR2
Hydrochloric Acid SCHEMBL11772934 0.83 GABBR2 (0.50) GABBR2GABBR1GABRR1LMNALPAR3
SCHEMBL22710654 0.83 GABBR2 (0.50) GABBR2GABBR1GABRR1LPAR3LPAR2
SCHEMBL2487035 0.83 GABBR2 (0.50) GABBR2GABBR1GABRR1LPAR3LPAR2

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