Butane

Butane

SCHEMBL5165115

CC(CC=O)CCCC(C)(C)O.CCCC

nearest known ligand 0.44

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Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CYP3A4 P08684 2/20 0.36
ALOX15 P16050 1/20 0.36
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 2/20 0.32
LMNA P02545 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
ACE2 Q9BYF1 1/20 0.31
CTSK P43235 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
SCHEMBL5306831 0.94 MEN1 (0.39) MEN1KMT2ACYP3A4ALOX15KDM4E
SCHEMBL464975 0.94 MEN1 (0.39) MEN1KMT2ACYP3A4ALOX15KDM4E
SCHEMBL94185 0.94 MEN1 (0.39) MEN1KMT2ACYP3A4ALOX15KDM4E
SCHEMBL5604094 0.94 MEN1 (0.39) MEN1KMT2ACYP3A4ALOX15KDM4E
SCHEMBL8433661 0.92 MEN1 (0.38) MEN1KMT2ACYP3A4ALOX15KDM4E
Pentanal SCHEMBL20856850 0.90 TSHR (0.45) MEN1KMT2ACYP3A4ALOX15KDM4E
Butane SCHEMBL873364 0.89 LMNA (0.35) MEN1KMT2ACYP3A4ALOX15LMNA
Propionic Acid SCHEMBL1871301 0.88 MEN1 (0.33) MEN1KMT2ACYP3A4ALOX15KDM4E
SCHEMBL23041060 0.86 MEN1 (0.34) MEN1KMT2ACYP3A4ALOX15KDM4E
SCHEMBL8344882 0.85 LMNA (0.38) MEN1KMT2ACYP3A4ALOX15KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8539631-B2 Roller for providing benefits to fabric THE PROCTER & GAMBLE COMPANY (US) 2013-09-24 US disclosed
EP-1765139-A1 ROLLER FOR PROVIDING BENEFITS TO FABRIC The Procter and Gamble Company (US) 2007-03-28 EP disclosed
WO-2006010087-A1 ROLLER FOR PROVIDING BENEFITS TO FABRIC THE PROCTER & GAMBLE COMPANY (US) 2006-01-26 WO disclosed
US-20060005333-A1 Roller for providing benefits to fabric PROCTER & GAMBLE COMPANY, THE 2006-01-12 US disclosed