Butane

Butane

SCHEMBL9100855

C=C(C)C(=O)OCCO.CCCC

nearest known ligand 0.62

Full drug profile on Sugi Atlas →

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.62
THRB P10828 1/20 0.59
ALDH1A1 P00352 8/20 0.41
ACHE P22303 1/20 0.41
POLB P06746 1/20 0.39
APEX1 P27695 1/20 0.39
HTT P42858 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MGLL Q99685 1/20 0.34
HPGD P15428 1/20 0.32
LMNA P02545 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31

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
Propanol SCHEMBL28040663 0.96 TSHR (0.62) TSHRTHRBALDH1A1ACHEPOLB
Hydroxyl Radical SCHEMBL28109519 0.96 TSHR (0.61) TSHRTHRBALDH1A1ACHEPOLB
SCHEMBL28655950 0.94 TSHR (0.60) TSHRTHRBALDH1A1ACHEPOLB
Alcohol SCHEMBL18764000 0.93 THRB (0.61) TSHRTHRBALDH1A1ACHEPOLB
SCHEMBL6864388 0.93 THRB (0.59) TSHRTHRBALDH1A1ACHEPOLB
SCHEMBL29229747 0.93 THRB (0.59) TSHRTHRBALDH1A1ACHEPOLB
SCHEMBL14886 0.93
Hexane SCHEMBL1449723 0.92 TSHR (0.75) TSHRTHRBALDH1A1ACHEPOLB
Butane SCHEMBL5094524 0.91 THRB (0.64) TSHRTHRBALDH1A1ACHEPOLB
SCHEMBL19747268 0.91

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
US-20120141932-A1 DEVELOPER AND METHOD FOR PRODUCING THE SAME TOSHIBA TEC KABUSHIKI KAISHA (JP) 2012-06-07 US disclosed