Butane

Butane

SCHEMBL248656

CCCC.O=[PH](O)OCCc1ccccc1

nearest known ligand 0.47

Full drug profile on Sugi Atlas →

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 1/20 0.41
ALDH1A1 P00352 1/20 0.40
HCAR2 Q8TDS4 1/20 0.40
HDAC3 O15379 1/20 0.40
FFAR1 O14842 1/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39
PTGES O14684 1/20 0.39
ALOX5 P09917 1/20 0.39
PPARG P37231 1/20 0.39
CTSK P43235 1/20 0.39

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
SCHEMBL2817046 0.93 TDP1 (0.47) TDP1NPC1RAB9ACA1CA2
Butane SCHEMBL11544800 0.84 ESR1 (0.46) TDP1NPC1RAB9ACA1CA2
SCHEMBL17061044 0.81 LMNA (0.53) TDP1NPC1RAB9AALDH1A1HDAC3
Butane SCHEMBL1238313 0.81 ALDH1A1 (0.46) TDP1ALDH1A1HDAC3
SCHEMBL7434838 0.80 FFAR1 (0.49) HDAC3FFAR1
Butane SCHEMBL8387926 0.79 THRB (0.39) TDP1CA1CA2CA9ALDH1A1
SCHEMBL27522937 0.79 MAPT (0.50) HDAC3FFAR1ALOX5
SCHEMBL28784998 0.79 MAPT (0.50) HDAC3FFAR1ALOX5
Biphenyl SCHEMBL11546378 0.78 ESR1 (0.46) TDP1ALDH1A1HCAR2FFAR1ESR1
SCHEMBL13284437 0.78 CYP1A2 (0.47) TDP1NPC1RAB9AFFAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2545583-B1 METHODS AND COMPOSITIONS FOR DOPING SILICON SUBSTRATES WITH MOLECULAR MONOLAYERS VERSUM MAT US LLC (US) 2020-05-13 EP claimed
US-8906774-B2 Methods and compositions for doping silicon substrates with molecular monolayers DYNALOY, LLC (US) 2014-12-09 US claimed
EP-2545583-A1 METHODS AND COMPOSITIONS FOR DOPING SILICON SUBSTRATES WITH MOLECULAR MONOLAYERS Dynaloy, LLC (US) 2013-01-16 EP claimed
US-20120003826-A1 METHODS AND COMPOSITIONS FOR DOPING SILICON SUBSTRATES WITH MOLECULAR MONOLAYERS VERSUM MATERIALS US, LLC 2012-01-05 US claimed
WO-2011112546-A1 METHODS AND COMPOSITIONS FOR DOPING SILICON SUBSTRATES WITH MOLECULAR MONOLAYERS DYNALOY, LLC (US) 2011-09-15 WO claimed
EP-2545583-B1 METHODS AND COMPOSITIONS FOR DOPING SILICON SUBSTRATES WITH MOLECULAR MONOLAYERS VERSUM MAT US LLC (US) 2020-05-13 EP disclosed
US-8906774-B2 Methods and compositions for doping silicon substrates with molecular monolayers DYNALOY, LLC (US) 2014-12-09 US disclosed
US-8835290-B2 Methods and compositions for doping silicon substrates with molecular monolayers DYNALOY, LLC (US) 2014-09-16 US disclosed
US-20130260545-A1 METHODS AND COMPOSITIONS FOR DOPING SILICON SUBSTRATES WITH MOLECULAR MONOLAYERS DYNALOY, LLC (US) 2013-10-03 US disclosed
US-8466035-B2 Methods and compositions for doping silicon substrates with molecular monolayers DYNALOY, LLC (US) 2013-06-18 US disclosed
US-20130059433-A1 METHODS AND COMPOSITIONS FOR DOPING SILICON SUBSTRATES WITH MOLECULAR MONOLAYERS DYNALOY, LLC (US) 2013-03-07 US disclosed
EP-2545583-A1 METHODS AND COMPOSITIONS FOR DOPING SILICON SUBSTRATES WITH MOLECULAR MONOLAYERS Dynaloy, LLC (US) 2013-01-16 EP disclosed
US-20120003826-A1 METHODS AND COMPOSITIONS FOR DOPING SILICON SUBSTRATES WITH MOLECULAR MONOLAYERS VERSUM MATERIALS US, LLC 2012-01-05 US disclosed
WO-2011112546-A1 METHODS AND COMPOSITIONS FOR DOPING SILICON SUBSTRATES WITH MOLECULAR MONOLAYERS DYNALOY, LLC (US) 2011-09-15 WO disclosed