Butane

Butane

SCHEMBL7206650

CCCC.O=[N+]([O-])OCCO

nearest known ligand 0.65

Full drug profile on Sugi Atlas →

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.37
TSHR P16473 2/20 0.36
TDP1 Q9NUW8 1/20 0.35
MAPT P10636 2/20 0.32
MEN1 O00255 1/20 0.32
THRB P10828 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
ACHE P22303 1/20 0.31
PTGS2 P35354 1/20 0.30
CA12 O43570 2/20 0.30
CA1 P00915 2/20 0.30
CA2 P00918 2/20 0.30
CA4 P22748 2/20 0.30
CA9 Q16790 2/20 0.30

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
SCHEMBL457560 0.90
SCHEMBL28443821 0.87
SCHEMBL28452035 0.87
SCHEMBL28486807 0.87
Ammonia Solution, Strong SCHEMBL2879639 0.87
SCHEMBL28620787 0.87
SCHEMBL28434038 0.87
SCHEMBL28375674 0.87
SCHEMBL28411444 0.87
SCHEMBL28575372 0.87

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
US-6607618-B1 Munitions propellant. The propellant has a nitrocellulose component is about fifty-two percent (52.0%) of the propellant. This is either a nitrocellulose having twelve and six-tenths percent (12.6%) nitrogen, or a combination of a THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE ARMY 2003-08-19 US claimed