Butane

Butane

SCHEMBL1329645

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

nearest known ligand 0.54

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

GSK3AGSK3BIMPA1

The experimentally established mechanism targets of Butane. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR3 O14843 2/20 0.54
HDAC1 Q13547 2/20 0.53
HDAC2 Q92769 2/20 0.53
HDAC3 O15379 1/20 0.53
HDAC8 Q9BY41 1/20 0.53
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
CES2 O00748 1/20 0.47
CES1 P23141 1/20 0.47
TDP1 Q9NUW8 5/20 0.44
CHRM1 P11229 1/20 0.44
AKR1A1 P14550 1/20 0.44
CHRM3 P20309 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
ADRA1A P35348 1/20 0.44
HRH1 P35367 1/20 0.44
DRD3 P35462 1/20 0.44
SLC6A3 Q01959 1/20 0.44

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 SCHEMBL2650732 1.00 FFAR3 (0.54) FFAR3HDAC1HDAC2HDAC3HDAC8
Butane SCHEMBL28409881 1.00 FFAR3 (0.54) FFAR3HDAC1HDAC2HDAC3HDAC8
Butane SCHEMBL29197512 1.00 FFAR3 (0.54) FFAR3HDAC1HDAC2HDAC3HDAC8
Butane SCHEMBL1716773 1.00
Butane SCHEMBL21633593 1.00 FFAR3 (0.54) FFAR3HDAC1HDAC2HDAC3HDAC8
Butane SCHEMBL1165212 1.00 FFAR3 (0.54) FFAR3HDAC1HDAC2HDAC3HDAC8
Butane SCHEMBL28896048 1.00 FFAR3 (0.54) FFAR3HDAC1HDAC2HDAC3HDAC8
Butane SCHEMBL40275 1.00 FFAR3 (0.54) FFAR3HDAC1HDAC2HDAC3HDAC8
Butane SCHEMBL4012929 0.95 FFAR3 (0.50) FFAR3HDAC1HDAC2HDAC3HDAC8
Butane SCHEMBL9235538 0.95 FFAR3 (0.50) FFAR3HDAC1HDAC2HDAC3HDAC8

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 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10087399-B2 Use of alkoxylated non-ionic surfactants as additive in aqueous membrane cleaning compositions BASF SE (DE) 2018-10-02 US disclosed
EP-2776548-B1 EMULSIONS CONTAINING POLYMERIC CATIONIC EMULSIFIERS, SUBSTANCE AND PROCESS BASF SE (DE) 2018-02-28 EP disclosed
EP-2872609-B1 USE OF ALKOXYLATED NON-IONIC SURFACTANTS AS ADDITIVE IN AQUEOUS MEMBRANE CLEANING COMPOSITIONS BASF SE (DE) 2018-02-14 EP disclosed
EP-2569370-B1 EMULSIONS OF POLYISOBUTENES, SUBSTANCE AND PROCESS BASF SE (DE) 2016-08-24 EP disclosed
US-20150175936-A1 USE OF ALKOXYLATED NON-IONIC SURFACTANTS AS ADDITIVE IN AQUEOUS MEMBRANE CLEANING COMPOSITIONS BASF SE (DE) 2015-06-25 US disclosed
EP-2776149-A2 EMULSIONS CONTAINING POLYMERIC CATIONIC EMULSIFIERS, SUBSTANCE AND PROCESS BASF SE (DE) 2014-09-17 EP disclosed
EP-2776548-A1 EMULSIONS CONTAINING POLYMERIC CATIONIC EMULSIFIERS, SUBSTANCE AND PROCESS The Procter and Gamble Company (US) 2014-09-17 EP disclosed
US-8759274-B2 Self-emulsifiable polyolefine compositions BASF SE (DE) 2014-06-24 US disclosed
US-8536108-B2 Care polymers THE PROCTER & GAMBLE COMPANY (US) 2013-09-17 US disclosed
US-20130123160-A1 SELF-EMULSIFIABLE POLYOLEFINE COMPOSITIONS BASF SE (DE) 2013-05-16 US disclosed
EP-2128144-A1 Amphiphilic molecules with a triazine core BASF SE (DE) 2009-12-02 EP disclosed
EP-2128143-A1 Amphiphilic molecules with a triazine core BASF SE (DE) 2009-12-02 EP disclosed
EP-2128142-A1 Amphiphilic molecules with a triazine core BASF SE (DE) 2009-12-02 EP disclosed
US-7612455-B2 Layered structure for electron device including regions of different wettability, electron device and electron device array that uses such a layered structure RICOH COMPANY, LTD. (JP) 2009-11-03 US disclosed
EP-1885787-A1 PHOSPHITE ADDITIVES IN POLYOLEFINS Philips Petroleum Company (US) 2008-02-13 EP disclosed
WO-2006124018-A1 PHOSPHITE ADDITIVES IN POLYOLEFINS PHILLIPS PETROLEUM COMPANY (US) 2006-11-23 WO disclosed
US-20040238816-A1 Layered structure and electron device that uses such a layered structure, fabrication process thereof, electron device array and dispaly apparatus RICOH COMPANY, LTD. (JP) 2004-12-02 US disclosed
EP-0556559-B1 Method for producing heat resistant coatings upon wires or fibres and device suitable for performing it HERBERTS & CO GMBH (DE) 1997-09-17 EP disclosed
EP-0556559-A1 Method for producing heat resistant coatings upon wires or fibres and device suitable for performing it Herberts Gesellschaft mit beschränkter Haftung (DE) 1993-08-25 EP disclosed
US-3947384-A EPOXY COMPOUND, POLYCARBOXYLIC ACID AND CYCLIC AMIDINE VEBA-CHEMIE AKTIENGESELLSCHAFT (DT) 1976-03-30 US disclosed