Butane

Butane

SCHEMBL9782292

C=CCOOC(C)(C)C.CCCC

nearest known ligand 0.32

Full drug profile on Sugi Atlas →

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.32
TDP1 Q9NUW8 1/20 0.32
MEN1 O00255 1/20 0.30
POLB P06746 1/20 0.30
KMT2A Q03164 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
SCHEMBL22848 0.93
SCHEMBL4271375 0.90 TSHR (0.35) TSHRTDP1
SCHEMBL27545141 0.82 TSHR (0.44) TSHRTDP1
Bicarbonate SCHEMBL29012820 0.82 TSHR (0.32) TSHRTDP1
Butane SCHEMBL3845806 0.79 TSHR (0.42) TSHRMEN1POLBKMT2A
SCHEMBL9354593 0.77
SCHEMBL9354519 0.76 ALDH1A1 (0.36) TSHRTDP1MEN1POLBKMT2A
SCHEMBL4955990 0.76 TSHR (0.38) TSHRTDP1
SCHEMBL3670064 0.74
SCHEMBL9354781 0.73

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-5037892-A Epoxidation Of Olefin Polymers AKZO N.V. (NL) 1991-08-06 US disclosed