1,4-Butanediol

1,4-Butanediol

SCHEMBL5493763

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

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 6/20 0.41
SMN1; SMN2 Q16637 1/20 0.38
ALDH1A1 P00352 3/20 0.36
LMNA P02545 2/20 0.36
HSD17B10 Q99714 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TSHR P16473 1/20 0.36
LAP3 P28838 1/20 0.36
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
FDPS P14324 2/20 0.33
PTPN1 P18031 1/20 0.33
PPARD Q03181 1/20 0.32
GABBR2 O75899 1/20 0.32
GABBR1 Q9UBS5 1/20 0.32
TDP1 Q9NUW8 1/20 0.31

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 SCHEMBL5486221 0.95 TRPM8 (0.41) TRPM8SMN1; SMN2ALDH1A1LAP3MMP1
Ethylene Glycol SCHEMBL5490587 0.90 TRPM8 (0.39) TRPM8TSHRLAP3MMP1MMP2
SCHEMBL497859 0.87 TRPM8 (0.44) TRPM8TSHRLAP3MMP1MMP2
Hydrochloric Acid SCHEMBL28552582 0.85 TRPM8 (0.42) TRPM8TSHRLAP3MMP1MMP2
SCHEMBL28098923 0.85 TRPM8 (0.42) TRPM8TSHRLAP3MMP1MMP2
Bromide SCHEMBL28553396 0.85 TRPM8 (0.42) TRPM8TSHRLAP3MMP1MMP2
Propylene Glycol SCHEMBL5485159 0.81 TDP1 (0.48) TRPM8TSHRLAP3MMP1MMP2
1,3-Butanediol SCHEMBL5490883 0.80 TRPM8 (0.38) TRPM8ALDH1A1TSHRLAP3MMP1
E968 SCHEMBL5486904 0.79 TRPM8 (0.35) TRPM8LMNATSHRLAP3MMP1
Glycerin SCHEMBL5491371 0.79 LMNA (0.41) TRPM8ALDH1A1LMNATSHRLAP3

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