Butane

Butane

SCHEMBL3383331

CCCC.[AlH2]C1C=C(c2ccccc2)c2ccccc21

nearest known ligand 0.34

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Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 1/20 0.31
MAPK1 P28482 1/20 0.31
ADRB2 P07550 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
PTPRC P08575 1/20 0.30
PTPRF P10586 1/20 0.30
PTPN1 P18031 1/20 0.30
CDC25B P30305 1/20 0.30
BACE1 P56817 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 SCHEMBL3385732 0.77 ACHE (0.37) BCHEACHEGAAL3MBTL1ALDH1A1
SCHEMBL28219809 0.70 ADRB2 (0.31) BCHEACHEADRB2
SCHEMBL28849090 0.70 ALDH1A1 (0.38) ALDH1A1MAPK1PTPRCPTPRFPTPN1
SCHEMBL28149503 0.69 ALDH1A1 (0.34) ALDH1A1MAPK1PTPRCPTPRFPTPN1
SCHEMBL28219414 0.69 ADRB2 (0.32) ADRB2
SCHEMBL28806317 0.68 ALDH1A1 (0.37) ALDH1A1MAPK1PTPRCPTPRFPTPN1
SCHEMBL28303653 0.68 BACE1 (0.38) ALDH1A1MAPK1PTPRCPTPRFPTPN1
SCHEMBL28351851 0.68 ALDH1A1 (0.33) ALDH1A1MAPK1PTPRCPTPRFPTPN1
Butane SCHEMBL15105003 0.68 PTGS2 (0.48) ALDH1A1MAPK1ADRB2SMN1; SMN2BACE1
SCHEMBL6762451 0.67 ALDH1A1 (0.36) ALDH1A1MAPK1PTPRCPTPRFPTPN1

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