Butane

Butane

SCHEMBL3121982

CCCC.O=P(O)(O)F.O=P(O)(O)F

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FDPS P14324 7/20 0.43
LPAR3 Q9UBY5 7/20 0.41
LPAR2 Q9HBW0 3/20 0.41
CA2 P00918 1/20 0.40
LPAR1 Q92633 3/20 0.39
MMP1 P03956 1/20 0.38
MMP2 P08253 1/20 0.38
MMP3 P08254 1/20 0.38
MMP9 P14780 1/20 0.38
LAP3 P28838 1/20 0.36
METAP1 P53582 1/20 0.36

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
Butane SCHEMBL23012261 0.86
Hexane SCHEMBL28170879 0.86 LPAR3 (0.57) FDPSLPAR3LPAR2LPAR1LAP3
Phosphoric Acid SCHEMBL10935355 0.84 FDPS (0.47) FDPSLPAR3LPAR2CA2LPAR1
Phosphoric Acid SCHEMBL21081718 0.84 FDPS (0.47) FDPSLPAR3LPAR2CA2LPAR1
Phosphoric Acid SCHEMBL17748944 0.84 FDPS (0.47) FDPSLPAR3LPAR2CA2LPAR1
Phosphoric Acid SCHEMBL9588189 0.84 FDPS (0.47) FDPSLPAR3LPAR2CA2LPAR1
Phosphoric Acid SCHEMBL337762 0.84
Phosphoric Acid SCHEMBL15540528 0.84 FDPS (0.47) FDPSLPAR3LPAR2CA2LPAR1
Phosphoric Acid SCHEMBL6827845 0.84 FDPS (0.47) FDPSLPAR3LPAR2CA2LPAR1
Propylamine SCHEMBL11743197 0.83 GABBR2 (0.48) FDPS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1204157-B1 Electrolyte for non-aqueous batteries and secondary battery using the same PANASONIC CORP (JP) 2010-03-24 EP disclosed