Butane

Butane

SCHEMBL8765292

C.CCCC.N.NC(O)=S.NC(O)=S

nearest known ligand 0.33

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Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
ATM Q13315 1/20 0.33
ATR Q13535 1/20 0.33
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 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
Butane SCHEMBL7952882 0.96 TSHR (0.36) TSHRATMATRCA12CA1
Butane SCHEMBL2701218 0.93 TSHR (0.39) TSHRATMATRCA12CA1
Butane SCHEMBL996346 0.93 TSHR (0.39) TSHRATMATRCA12CA1
Butane SCHEMBL29145656 0.93 TSHR (0.39) TSHRATMATRCA12CA1
Butane SCHEMBL10694152 0.89 TSHR (0.36) TSHRATMATRCA12CA1
Butane SCHEMBL28133898 0.89 TSHR (0.36) TSHRATMATRCA12CA1
Butane SCHEMBL27269155 0.89 TSHR (0.36) TSHRATMATRCA12CA1
Butane SCHEMBL8986628 0.89 TSHR (0.36) TSHRATMATRCA12CA1
Butane SCHEMBL28320352 0.89 TSHR (0.36) TSHRATMATRCA12CA1
Butane SCHEMBL9844586 0.89 TSHR (0.36) TSHRATMATRCA12CA1

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
EP-0787791-A2 Functional fluid compositions having improved frictional and anti-oxidation properties The Lubrizol Corporation (US) 1997-08-06 EP disclosed