Isobutane

Isobutane

SCHEMBL9063191

C=CC.CC(C)C.CCC

nearest known ligand 0.33

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Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
ALDH1A1 P00352 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 SCHEMBL27503666 0.96 TSHR (0.32) TSHR
Isobutane SCHEMBL3296995 0.87
Propene SCHEMBL9308404 0.87
Propene SCHEMBL241947 0.87
Isobutane SCHEMBL27412206 0.87
Propene SCHEMBL16401493 0.87
Propene SCHEMBL27863395 0.87 TSHR (0.40) TSHRALDH1A1
Propene SCHEMBL1615358 0.87 TSHR (0.40) TSHRALDH1A1
Propene SCHEMBL10795836 0.82
Propene SCHEMBL7560605 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
CN-101020844-A Catalyst for reducing olefin content in mixed material of liquified gas and gasoline DALIAN CHEMICAL PHYSICS INST (CN) 2007-08-22 CN disclosed
CN-1511631-A Catalyst for hydrogenation conversion of 1,3-butadiene into 2-butene 中国科学院大连化学物理研究所 2004-07-14 CN disclosed
CN-2272783-Y Integer string bag type catalyst member PETROLEUM NO 2 PLANT FUSHUN PE (CN) 1998-01-21 CN disclosed
EP-0749464-A1 HYDROFLUOROCARBON COMPOSITIONS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1996-12-27 EP disclosed
WO-1995024451-A1 HYDROFLUOROCARBON COMPOSITIONS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1995-09-14 WO disclosed
EP-0507770-A4 PROCESS FOR PREPARING AN ETHER 1993-03-31 EP disclosed
EP-0507770-A1 PROCESS FOR PREPARING AN ETHER. MOBIL OIL CORP (US) 1992-10-14 EP disclosed
CN-1041177-A Produce the method for motor spirit by low-molecular olefine INST OF PETRO CHEMICAL SCIENCE (CN) 1990-04-11 CN disclosed