Butanol

Butanol

SCHEMBL4557948

C=C(C)C.CCC(C)O.CCC(C)OC(C)(C)C

nearest known ligand 0.42

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Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
MAPK1 P28482 1/20 0.37

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
SCHEMBL4454333 0.94 MAPK1 (0.31) MAPK1
SCHEMBL12013704 0.82
SCHEMBL110670 0.82
SCHEMBL12549711 0.82
Butanol SCHEMBL2016976 0.76
Butanol SCHEMBL11152455 0.74 TSHR (0.67) TSHR
Di(Hydroxyethyl)Ether SCHEMBL4840284 0.71 TSHR (0.42) TSHRMAPK1
SCHEMBL17266276 0.70 MAPK1 (0.44) TSHRMAPK1
SCHEMBL15943072 0.69 MAPK1 (0.42) TSHRMAPK1
SCHEMBL7102206 0.69 TSHR (0.31) TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7601880-B2 Method for catalytic deoxygenation of process fluids of olefin dimerization process NESTE OIL OYJ (FI) 2009-10-13 US disclosed
US-20070100194-A1 Method for catalytic deoxygenation of process fluids of olefin dimerization process NESTE OIL OYJ (FI) 2007-05-03 US disclosed