Isobutane

Isobutane

SCHEMBL367266

CC(C)C.CC(C)C.CC(C)C.CC(C)C.CCC(C)C

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
TRPM8 Q7Z2W7 1/20 0.32
TRPA1 O75762 2/20 0.32
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.31
LMNA P02545 1/20 0.31
TRPV1 Q8NER1 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
Isobutane SCHEMBL1088792 1.00
SCHEMBL891350 0.94 TSHR (0.50) TSHRTRPM8TRPA1ALDH1A1MAPK1
SCHEMBL6323 0.94
SCHEMBL1823097 0.94
SCHEMBL8157971 0.94 TSHR (0.50) TSHRTRPM8TRPA1ALDH1A1MAPK1
SCHEMBL8370114 0.89
SCHEMBL3359261 0.89
SCHEMBL8049987 0.89
Water SCHEMBL21456892 0.89
SCHEMBL20920815 0.89

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
WO-2012009031-A2 SUPPORTED LIQUID PHASE IONIC LIQUID CATALYST PROCESS CHEVRON U.S.A. INC. (US) 2012-01-19 WO disclosed