Butane

Butane

SCHEMBL3385732

CC1=CC([AlH2])c2ccccc21.CCCC

nearest known ligand 0.37

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 2/20 0.37
BCHE P06276 1/20 0.37
GPR3 P46089 1/20 0.32
HTR2A P28223 1/20 0.32
GAA P10253 2/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CHRM2 P08172 1/20 0.31
HTR1A P08908 1/20 0.31
ADRA2A P08913 1/20 0.31
CHRM1 P11229 1/20 0.31
DRD1 P21728 1/20 0.31
SLC6A2 P23975 1/20 0.31
SLC6A4 P31645 1/20 0.31
ADRA1A P35348 1/20 0.31
OPRM1 P35372 1/20 0.31
DRD3 P35462 1/20 0.31
SLC6A3 Q01959 1/20 0.31
HRH3 Q9Y5N1 1/20 0.31
MEN1 O00255 1/20 0.31
PLIN1 O60240 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
Butane SCHEMBL3383331 0.77 BCHE (0.34) ACHEBCHEGAAL3MBTL1ALDH1A1
SCHEMBL27361895 0.73 HTR6 (0.39) ACHEBCHEGPR3HTR2AGAA
SCHEMBL6345275 0.72 ACHE (0.35) ACHEBCHEGPR3HTR2AGAA
SCHEMBL7596435 0.71 HTR6 (0.34) ACHEBCHEGPR3HTR2ACHRM2
SCHEMBL7939907 0.69 HTR6 (0.41) ACHEBCHEGPR3HTR2ACHRM2
SCHEMBL29385315 0.69 GPR3 (0.38) ACHEBCHEGPR3HTR2AGAA
SCHEMBL5356718 0.69 GPR3 (0.38) ACHEBCHEGPR3HTR2AGAA
SCHEMBL7936607 0.68 GPR3 (0.34) GPR3HTR2AGAAMEN1TP53
SCHEMBL9146467 0.67 GPR3 (0.37) ACHEGPR3HTR2AGAACHRM2
SCHEMBL4651597 0.67 GPR3 (0.41) ACHEGPR3HTR2AGAACHRM2

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-7709586-B2 Olefin polymerization catalyst and olefin polymerization process using the same DAELIM INDUSTRIAL CO., LTD. (KR) 2010-05-04 US disclosed
US-20070142221-A1 Olefin polymerization catalyst and olefin polymerization process using the same DAELIM INDUSTRIAL CO., LTD. 2007-06-21 US disclosed