Butane

Butane

SCHEMBL9719741

CCCC.O=C=NON=C=O

nearest known ligand 0.32

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Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.32
CASP1 P29466 1/20 0.32

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
Ethane SCHEMBL21591806 0.83
SCHEMBL555067 0.83
Ethylene SCHEMBL29176429 0.76
Ethylene Glycol SCHEMBL9101387 0.75 TSHR (0.31) TSHR
SCHEMBL2916352 0.71
SCHEMBL2919918 0.69
SCHEMBL28914312 0.67
Butane SCHEMBL28419375 0.67 TSHR (0.35) TSHRCASP1
Butane SCHEMBL1872873 0.67
Butane SCHEMBL28241140 0.65 TSHR (0.33) TSHRCASP1

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-5153237-A Heat and chemical resistant, adherent coatings ISP INVESTMENTS INC. (US) 1992-10-06 US disclosed