1,3-Propanediol

1,3-Propanediol

SCHEMBL5487525

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

nearest known ligand 0.35

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
TDP1 Q9NUW8 1/20 0.34
TRPM8 Q7Z2W7 5/20 0.32
ANPEP P15144 3/20 0.32
LAP3 P28838 3/20 0.32
FDPS P14324 2/20 0.32
ERAP1 Q9NZ08 1/20 0.32
PTPN1 P18031 1/20 0.32
PPARD Q03181 1/20 0.31
GABBR2 O75899 1/20 0.31
GABBR1 Q9UBS5 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
1,4-Butanediol SCHEMBL5488563 0.94 SMN1; SMN2 (0.36) ALDH1A1TDP1TRPM8ANPEPLAP3
Ethylene Glycol SCHEMBL5490975 0.88 LAP3 (0.35) ALDH1A1TDP1ANPEPLAP3FDPS
SCHEMBL563336 0.82
Bromide SCHEMBL28544468 0.78 CA2 (0.40) ALDH1A1TDP1ANPEPLAP3FDPS
SCHEMBL28114973 0.78 CA2 (0.40) ALDH1A1TDP1ANPEPLAP3FDPS
SCHEMBL28114938 0.78 CA2 (0.40) ALDH1A1TDP1ANPEPLAP3FDPS
SCHEMBL29265280 0.78 CA2 (0.40) ALDH1A1TDP1ANPEPLAP3FDPS
Hydrochloric Acid SCHEMBL11331317 0.78 CA2 (0.40) ALDH1A1TDP1ANPEPLAP3FDPS
SCHEMBL28146234 0.78 CA2 (0.40) ALDH1A1TDP1ANPEPLAP3FDPS
Propylene Glycol SCHEMBL5481665 0.78 TDP1 (0.56) ALDH1A1TDP1ANPEPLAP3FDPS

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