Butane

Butane

SCHEMBL4454780

CCCC.POc1ccccc1

nearest known ligand 0.45

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Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.45
CA4 P22748 1/20 0.43
TSHR P16473 1/20 0.41
KCNA3 P22001 1/20 0.40
CHRNB2 P17787 2/20 0.39
CHRNB4 P30926 2/20 0.39
CHRNA3 P32297 2/20 0.39
CHRNA7 P36544 2/20 0.39
CHRNA4 P43681 2/20 0.39
TP53 P04637 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL66653 0.86
Water SCHEMBL27849179 0.83
SCHEMBL29460272 0.83
Potassium SCHEMBL29460314 0.83
Hydrochloric Acid SCHEMBL28484728 0.83 LTA4H (0.50) LTA4HCA4TSHRKCNA3L3MBTL1
Hydrochloric Acid SCHEMBL27878361 0.83
Lithium SCHEMBL29460305 0.83
SCHEMBL27075439 0.83
SCHEMBL29694148 0.80 LTA4H (0.47) LTA4HCA4TSHRKCNA3L3MBTL1
Ethylene SCHEMBL27178323 0.80 LTA4H (0.47) LTA4HCA4TSHRKCNA3L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7612148-B2 Hydrogenation catalyst composition and method for hydrogenation of conjugated diene polymer TSRC CORPORATION (TW) 2009-11-03 US disclosed
US-20080146733-A1 Hydrogenation catalyst composition and method for hydrogenation of conjugated diene polymer TSRC CORPORATION (TW) 2008-06-19 US disclosed
US-4490559-A SYNTHESIS GAS AND A GROUP VII COMPOUND CATALYST SHELL OIL COMPANY (US) 1984-12-25 US disclosed
US-4447648-A USING SYNTHESIS GAS AND A GROUP VIII COMPOUND UNION CARBIDE CORPORATION (US) 1984-05-08 US disclosed
US-4429165-A TRIVALENT ORGANOPHOSPHORUS AND ORGANONITROGEN COMPOUNDS AS PROMOTERS UNION CARBIDE CORPORATION (US) 1984-01-31 US disclosed