Isobutane

Isobutane

SCHEMBL2022228

CC(C)C.CCCC(C)C

nearest known ligand 0.42

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.42
LMNA P02545 1/20 0.37
OPRM1 P35372 1/20 0.33
CHRM1 P11229 1/20 0.33
AKR1A1 P14550 1/20 0.33
CHRM3 P20309 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33
ADRA1A P35348 1/20 0.33
HRH1 P35367 1/20 0.33
DRD3 P35462 1/20 0.33
SLC6A3 Q01959 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
CYP3A4 P08684 2/20 0.32
NFKB1 P19838 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
CA1 P00915 2/20 0.32

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
SCHEMBL29399686 0.96
SCHEMBL2487739 0.96
SCHEMBL4635 0.96
SCHEMBL907968 0.96 TSHR (0.44) TSHRLMNAOPRM1CHRM1AKR1A1
Ammonia Solution, Strong SCHEMBL374068 0.92
Butane SCHEMBL11462630 0.92 TSHR (0.42) TSHRLMNAOPRM1CHRM1AKR1A1
Hydrochloric Acid SCHEMBL6130399 0.92
Hydrogen Sulfide SCHEMBL5675257 0.92
Water SCHEMBL3346079 0.92 TSHR (0.42) TSHRLMNAOPRM1CHRM1AKR1A1
SCHEMBL8037840 0.92

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2516579-B1 NON OZONE DEPLETING AND LOW GLOBAL WARMING POTENTIAL REFRIGERANTS FOR LOW TEMPERATURE REFRIGERATION RPL HOLDINGS LTD (GB) 2016-03-02 EP claimed
US-9023231-B2 Non ozone depleting and low global warming potential refrigerants for low temperature refrigeration RPL HOLDINGS LIMITED (GB) 2015-05-05 US claimed
US-20120312048-A1 NON OZONE DEPLETING AND LOW GLOBAL WARMING POTENTIAL REFRIGERANTS FOR LOW TEMPERATURE REFRIGERATION RPL HOLDINGS LIMITED (GB) 2012-12-13 US claimed
EP-2516579-A1 NON OZONE DEPLETING AND LOW GLOBAL WARMING POTENTIAL REFRIGERANTS FOR LOW TEMPERATURE REFRIGERATION RPL Holdings Limited (GB) 2012-10-31 EP claimed
WO-2011077088-A1 NON OZONE DEPLETING AND LOW GLOBAL WARMING POTENTIAL REFRIGERANTS FOR LOW TEMPERATURE REFRIGERATION RPL HOLDINGS LIMITED (GB) 2011-06-30 WO claimed
CN-1204222-C Multi-component mixture working medium throttling refrigerant suitable for cryogenic temperature zone RIKAGAKU KENKYUSHO (CN) 2005-06-01 CN disclosed
CN-1475544-A Multi-component mixture working medium throttling refrigerant suitable for cryogenic temperature zone 中国科学院理化技术研究所 2004-02-18 CN disclosed