1,4-Butanediol

1,4-Butanediol

SCHEMBL5488563

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

nearest known ligand 0.36

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Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.36
ALDH1A1 P00352 4/20 0.35
LMNA P02545 2/20 0.35
HSD17B10 Q99714 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TSHR P16473 1/20 0.35
TDP1 Q9NUW8 1/20 0.34
ANPEP P15144 3/20 0.32
TRPM8 Q7Z2W7 3/20 0.32
LAP3 P28838 2/20 0.32
ERAP1 Q9NZ08 1/20 0.32
FDPS P14324 1/20 0.32
PTPN1 P18031 1/20 0.32
PPARD Q03181 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 SCHEMBL5487525 0.94 ALDH1A1 (0.34) ALDH1A1TDP1ANPEPTRPM8LAP3
Ethylene Glycol SCHEMBL5490975 0.88 LAP3 (0.35) ALDH1A1TSHRTDP1ANPEPLAP3
SCHEMBL563336 0.82
SCHEMBL28114973 0.78 CA2 (0.40) ALDH1A1LMNATDP1ANPEPLAP3
SCHEMBL29265280 0.78 CA2 (0.40) ALDH1A1LMNATDP1ANPEPLAP3
SCHEMBL28146234 0.78 CA2 (0.40) ALDH1A1LMNATDP1ANPEPLAP3
Hydrochloric Acid SCHEMBL11331317 0.78 CA2 (0.40) ALDH1A1LMNATDP1ANPEPLAP3
Bromide SCHEMBL28544468 0.78 CA2 (0.40) ALDH1A1LMNATDP1ANPEPLAP3
SCHEMBL28114938 0.78 CA2 (0.40) ALDH1A1LMNATDP1ANPEPLAP3
Propylene Glycol SCHEMBL5481665 0.78 TDP1 (0.56) ALDH1A1TSHRTDP1ANPEPLAP3

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