1,4-Butanediol

1,4-Butanediol

SCHEMBL5494698

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

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.37
ANPEP P15144 3/20 0.34
LAP3 P28838 2/20 0.34
ERAP1 Q9NZ08 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 3/20 0.32
TDP1 Q9NUW8 1/20 0.32
MMP1 P03956 1/20 0.32
MMP8 P22894 1/20 0.32
LMNA P02545 2/20 0.32
TSHR P16473 2/20 0.32
HSD17B10 Q99714 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
GRM3 Q14832 2/20 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
1,3-Propanediol SCHEMBL5491385 0.95 TRPM8 (0.37) TRPM8ANPEPLAP3ERAP1ALDH1A1
Ethylene Glycol SCHEMBL5484412 0.90 ANPEP (0.37) TRPM8ANPEPLAP3ERAP1MMP1
SCHEMBL331939 0.87 ANPEP (0.42) TRPM8ANPEPLAP3ERAP1MMP1
SCHEMBL2171447 0.86 TRPM8 (0.39) TRPM8ANPEPLAP3ERAP1ALDH1A1
Bromide SCHEMBL28549578 0.84 ANPEP (0.40) TRPM8ANPEPLAP3ERAP1MMP1
SCHEMBL31074941 0.84 ANPEP (0.40) TRPM8ANPEPLAP3ERAP1MMP1
SCHEMBL28725320 0.84 ANPEP (0.40) TRPM8ANPEPLAP3ERAP1MMP1
SCHEMBL28725325 0.84 ANPEP (0.40) TRPM8ANPEPLAP3ERAP1MMP1
Hydrochloric Acid SCHEMBL28552052 0.84 ANPEP (0.40) TRPM8ANPEPLAP3ERAP1MMP1
SCHEMBL2253835 0.84 ANPEP (0.40) TRPM8ANPEPLAP3ERAP1MMP1

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