1,3-Butanediol

1,3-Butanediol

SCHEMBL5485665

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

nearest known ligand 0.38

Full drug profile on Sugi Atlas →

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FDPS P14324 2/20 0.38
ALDH1A1 P00352 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
LMNA P02545 1/20 0.33
GABBR2 O75899 1/20 0.30
GABBR1 Q9UBS5 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 SCHEMBL5488587 0.84 TDP1 (0.50) FDPSTDP1LMNA
1,3-Butanediol SCHEMBL5485302 0.81 GABBR2 (0.39) FDPSALDH1A1TDP1GABBR2GABBR1
SCHEMBL5490927 0.81 THRB (0.54) ALDH1A1LMNA
Ethylene Glycol SCHEMBL5487531 0.78 LMNA (0.38) FDPSLMNA
1,3-Butanediol SCHEMBL5489034 0.77 ALDH1A1 (0.35) FDPSALDH1A1TDP1GABBR2GABBR1
1,3-Butanediol SCHEMBL5493726 0.76 GABBR2 (0.35) FDPSALDH1A1TDP1GABBR2GABBR1
1,3-Butanediol SCHEMBL3427715 0.75 TDP1 (0.53) ALDH1A1TDP1LMNA
1,3-Butanediol SCHEMBL227565 0.75
1,3-Butanediol SCHEMBL222874 0.75
1,3-Butanediol SCHEMBL8176 0.75

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