Isobutane

Isobutane

SCHEMBL604446

CC(C)C.O=C1CCC(=O)O1

nearest known ligand 0.73

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.73
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
CA1 P00915 1/20 0.32
CA9 Q16790 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.30
KDM4E B2RXH2 1/20 0.30
CYP1A2 P05177 1/20 0.30
GLA P06280 1/20 0.30
CYP2C9 P11712 1/20 0.30
HPGD P15428 1/20 0.30
CYP2C19 P33261 1/20 0.30
SIRT1 Q96EB6 1/20 0.30
HSD17B10 Q99714 1/20 0.30
SORT1 Q99523 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
SCHEMBL16123 0.86
SCHEMBL27592095 0.86 TSHR (1.00) TSHRALDH1A1LMNATP53CA1
SCHEMBL27592097 0.86 TSHR (1.00) TSHRALDH1A1LMNATP53CA1
SCHEMBL1330876 0.86
SCHEMBL3775773 0.86 TSHR (1.00) TSHRALDH1A1LMNATP53CA1
SCHEMBL3948099 0.86 TSHR (1.00) TSHRALDH1A1LMNATP53CA1
Methyl Alcohol SCHEMBL27739043 0.83
Methylamine SCHEMBL9060318 0.83
SCHEMBL991942 0.82
SCHEMBL10406433 0.82

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110065840-A1 PROCESS FOR PREPARING POLYOL DISPERSIONS BASF SE (DE) 2011-03-17 US claimed
US-8114231-B2 Gassing of emulsion explosives with nitric oxide NEWCASTLE INNOVATION LIMITED (AU) 2012-02-14 US disclosed
US-20110132505-A1 METHOD FOR GASSING EXPLOSIVES ESPECIALLY AT LOW TEMPERATURES NEWCASTLE INNOVATION LIMITED (AU) 2011-06-09 US disclosed
US-20110065840-A1 PROCESS FOR PREPARING POLYOL DISPERSIONS BASF SE (DE) 2011-03-17 US disclosed
US-20090301619-A1 GASSING OF EMULSION EXPLOSIVES WITH NITRIC OXIDE NEWCASTLE INNOVATION LIMITED (AU) 2009-12-10 US disclosed
EP-2125675-A1 METHODS FOR GASSING EXPLOSIVES ESPECIALLY AT LOW TEMPERATURES Newcastle Innovation Limited (AU) 2009-12-02 EP disclosed
WO-2008083436-A1 METHODS FOR GASSING EXPLOSIVES ESPECIALLY AT LOW TEMPERATURES NEWCASTLE INNOVATION LIMITED (AU) 2008-07-17 WO disclosed
WO-2007048192-A1 GASSING OF EMULSION EXPLOSIVES WITH NITRIC OXIDE NEWCASTLE INNOVATION LIMITED (AU) 2007-05-03 WO disclosed