Butane

Butane

SCHEMBL28617895

CC(C)(C)C(C)(C)OC(=O)O.CCCC

nearest known ligand 0.32

Full drug profile on Sugi Atlas →

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA7 P43166 1/20 0.32
CA14 Q9ULX7 1/20 0.32
FFAR3 O14843 2/20 0.32
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
LMNA P02545 1/20 0.30
HSD17B10 Q99714 1/20 0.30
GAA P10253 1/20 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
SCHEMBL607879 0.89 ALDH1A1 (0.35)
Butane SCHEMBL28189385 0.79 CA1 (0.38) CA12CA1CA7CA14FFAR3
SCHEMBL6335691 0.78 TSHR (0.39) FFAR3GAA
SCHEMBL13728831 0.74 ALDH1A1 (0.32)
SCHEMBL13155847 0.72 ALDH1A1 (0.36) FFAR3GAA
SCHEMBL9577099 0.70 ALDH1A1 (0.40)
Propane SCHEMBL1965258 0.70 DGAT1 (0.39) CA12CA1CA7CA14FFAR3
SCHEMBL609525 0.70 LMNA (0.39) CA1FFAR3HDAC3HDAC1HDAC2
Butane SCHEMBL28600788 0.70 TSHR (0.35) CA12CA1CA7CA14HSD17B10
SCHEMBL607878 0.69 DGAT1 (0.31) GAA

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
CN-113265126-A Fully-degradable long-chain branched polylactic acid and preparation method thereof 汕头市三马塑胶制品有限公司 2021-08-17 CN claimed
CN-113265125-A Foaming-grade full-bio-based fully-degradable polylactic acid and preparation method thereof 汕头市三马塑胶制品有限公司 2021-08-17 CN claimed
CN-113265127-A Full-bio-based full-degradable long-chain branched polylactic acid and preparation method thereof 汕头市三马塑胶制品有限公司 2021-08-17 CN claimed
CN-113265128-A Foaming-grade fully-degradable polylactic acid and preparation method thereof 汕头市三马塑胶制品有限公司 2021-08-17 CN claimed