Butane

Butane

SCHEMBL2242245

CCCC.CCCCOC(=O)CCP(=O)(O)O

nearest known ligand 0.50

Full drug profile on Sugi Atlas →

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.50
NAAA Q02083 1/20 0.46
LPAR3 Q9UBY5 3/20 0.45
ALDH1A1 P00352 1/20 0.45
LPAR2 Q9HBW0 1/20 0.45
HTR2C P28335 1/20 0.45
ATM Q13315 1/20 0.42
DNM1 Q05193 1/20 0.42
P2RY10 O00398 4/20 0.42
GPR34 Q9UPC5 2/20 0.42
S1PR2 O95136 1/20 0.41
S1PR1 P21453 1/20 0.41
S1PR3 Q99500 1/20 0.41
S1PR5 Q9H228 1/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41

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
SCHEMBL9642883 0.91 NAAA (0.58) DGKANAAALPAR3LPAR2HTR2C
SCHEMBL11331413 0.91 NAAA (0.58) DGKANAAALPAR3LPAR2HTR2C
SCHEMBL15068280 0.91 NAAA (0.58) DGKANAAALPAR3LPAR2HTR2C
SCHEMBL11327249 0.91 NAAA (0.58) DGKANAAALPAR3LPAR2HTR2C
SCHEMBL30500740 0.91 NAAA (0.58) DGKANAAALPAR3LPAR2HTR2C
SCHEMBL11318096 0.91 NAAA (0.58) DGKANAAALPAR3LPAR2HTR2C
Butane SCHEMBL2238004 0.91 DGKA (0.53) DGKANAAALPAR3ALDH1A1LPAR2
Water SCHEMBL27503550 0.89 NAAA (0.56) DGKANAAALPAR3LPAR2HTR2C
Water SCHEMBL28743837 0.89 NAAA (0.56) DGKANAAALPAR3LPAR2HTR2C
SCHEMBL28437253 0.89 DGKA (0.55) DGKANAAALPAR3ALDH1A1LPAR2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9231276-B2 Nonaqueous electrolytic solutions and nonaqueous-electrolyte batteries MITSUBISHI CHEMICAL CORPORATION (JP) 2016-01-05 US disclosed
EP-2360771-B1 Nonaqueous electrolytic solutions and nonaqueous-electrolyte batteries MITSUBISHI CHEM CORP (JP) 2015-04-29 EP disclosed
EP-2790258-A1 Nonaqueous electrolytic solutions and nonaqueous-electrolyte batteries Mitsubishi Chemical Corporation (JP) 2014-10-15 EP disclosed
EP-2461415-A1 Nonaqueous electrolytic solutions and nonaqueous-electrolyte batteries Mitsubishi Chemical Corporation (JP) 2012-06-06 EP disclosed
US-20120115042-A1 NONAQUEOUS ELECTROLYTIC SOLUTIONS AND NONAQUEOUS-ELECTROLYTE BATTERIES MITSUBISHI CHEMICAL CORPORATION (JP) 2012-05-10 US disclosed
EP-2360771-A1 Nonaqueous electrolytic solutions and nonaqueous-electrolyte batteries Mitsubishi Chemical Corporation (JP) 2011-08-24 EP disclosed
US-20090253045-A1 NONAQUEOUS ELECTROLYTIC SOLUTIONS AND NONAQUEOUS-ELECTROLYTE BATTERIES MITSUBISHI CHEMICAL CORPORATION (JP) 2009-10-08 US disclosed
EP-2031689-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY Mitsubishi Chemical Corporation (JP) 2009-03-04 EP disclosed