Butane

Butane

SCHEMBL2238004

CCCC.CCCCOC(=O)CCCP(=O)(O)O

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DGKA P23743 1/20 0.53
LPAR3 Q9UBY5 3/20 0.48
LPAR2 Q9HBW0 1/20 0.48
DNM1 Q05193 1/20 0.45
NAAA Q02083 1/20 0.44
P2RY10 O00398 4/20 0.44
GPR34 Q9UPC5 2/20 0.44
ALDH1A1 P00352 1/20 0.44
HTR2C P28335 1/20 0.44
S1PR2 O95136 1/20 0.43
S1PR1 P21453 1/20 0.43
S1PR3 Q99500 1/20 0.43
S1PR5 Q9H228 1/20 0.43
PRSS1 P07477 1/20 0.43
PRSS2 P07478 1/20 0.43
PRSS3 P35030 1/20 0.43
ENPP2 Q13822 1/20 0.42
TRPV1 Q8NER1 1/20 0.42

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
SCHEMBL28437253 0.98 DGKA (0.55) DGKALPAR3LPAR2DNM1NAAA
Butane SCHEMBL2242245 0.91 DGKA (0.50) DGKALPAR3LPAR2DNM1NAAA
Butane SCHEMBL2239460 0.91 DGKA (0.50) DGKALPAR3LPAR2DNM1S1PR2
SCHEMBL11221174 0.88 DGKA (0.67) DGKALPAR3LPAR2DNM1NAAA
SCHEMBL22658027 0.86 DGKA (0.65) DGKALPAR3LPAR2DNM1NAAA
SCHEMBL17754026 0.85 DGKA (0.47) DGKALPAR3LPAR2DNM1NAAA
Phosphoric Acid SCHEMBL27914728 0.85 DGKA (0.61) DGKALPAR3LPAR2DNM1NAAA
SCHEMBL27918906 0.84 DGKA (0.55) DGKALPAR3LPAR2DNM1NAAA
SCHEMBL17753920 0.84 LPAR3 (0.50) DGKALPAR3LPAR2NAAAALDH1A1
Dibutyl Sebacate SCHEMBL28236620 0.83 DGKA (0.70) DGKALPAR3LPAR2DNM1NAAA

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