Butane

Butane

SCHEMBL8206934

CCCC.COC(=O)OC

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
TSHR P16473 4/20 0.42
ALDH1A1 P00352 3/20 0.42
ZDHHC7 Q9NXF8 1/20 0.39
EPHX1 P07099 1/20 0.39
MGAM O43451 2/20 0.38
GAA P10253 2/20 0.38
SI P14410 2/20 0.38
MGAM2 Q2M2H8 2/20 0.38
HSD17B10 Q99714 1/20 0.38
SOAT1 P35610 1/20 0.38
HDAC8 Q9BY41 3/20 0.38
HDAC6 Q9UBN7 2/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC9 Q9UKV0 1/20 0.38
HDAC5 Q9UQL6 1/20 0.38
CES2 O00748 1/20 0.37
CES1 P23141 1/20 0.37
HDAC1 Q13547 3/20 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
Propane SCHEMBL28197722 0.89
Hexane SCHEMBL11722687 0.87 EPHX1 (0.52) CA1CA2TSHRALDH1A1ZDHHC7
Pentane SCHEMBL29061324 0.87 CA1 (0.50) CA1CA2TSHRALDH1A1ZDHHC7
Butane SCHEMBL12489459 0.87 SOAT1 (0.48) CA1CA2TSHRALDH1A1ZDHHC7
Alcohol SCHEMBL11246505 0.86
SCHEMBL4971363 0.84
SCHEMBL20796 0.84
SCHEMBL4748477 0.84 ALDH1A1 (0.54) CA2TSHRALDH1A1MGAMGAA
Heptane SCHEMBL28605847 0.84 EPHX1 (0.56) CA1CA2TSHRALDH1A1ZDHHC7
Methyl Alcohol SCHEMBL897650 0.81

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-220899556-U Methanol and dimethyl carbonate diethyl ester azeotrope separating tower 江苏思派新能源科技有限公司 2024-05-07 CN claimed
CN-220899556-U Methanol and dimethyl carbonate diethyl ester azeotrope separating tower 江苏思派新能源科技有限公司 2024-05-07 CN disclosed
CN-220899556-U Methanol and dimethyl carbonate diethyl ester azeotrope separating tower 江苏思派新能源科技有限公司 2024-05-07 CN disclosed
WO-2021070124-A1 ALTERNATE PROCESSES FOR THE PREPARATION OF OMECAMTIV MECARBIL DR. REDDY’S LABORATORIES LIMITED (IN) 2021-04-15 WO disclosed
US-6045950-A A LITHIUM BATTERY CONTAINING AN ELECTROLYTE CONTAINING A MALONATE ESTER HAVING NO ALPHA-CARBON HYDROGEN ATOMS; A CATHODE THAT BECOMES LITHIATED DURING DISCHARGE OF LITHIUM BATTERY, AN ANODE AND A SEPARATOR BETWEEN ANODE AND CATHODE DURACELL INC. (US) 2000-04-04 US disclosed
WO-2000001027-A1 SOLVENT FOR ELECTROLYTIC SOLUTIONS DURACELL INC. (US) 2000-01-06 WO disclosed