Butane

Butane

SCHEMBL4594497

CCCC.CCCC.OO

nearest known ligand 0.44

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.44
ALDH1A1 P00352 5/20 0.44
FFAR3 O14843 2/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC3 O15379 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
LMNA P02545 2/20 0.40
THRB P10828 1/20 0.36
CES2 O00748 1/20 0.36
CES1 P23141 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TDP1 Q9NUW8 3/20 0.35
CHRM1 P11229 1/20 0.35
AKR1A1 P14550 1/20 0.35
CHRM3 P20309 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
ADRA1A P35348 1/20 0.35
HRH1 P35367 1/20 0.35

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 SCHEMBL2140500 1.00 TSHR (0.44) TSHRALDH1A1FFAR3HDAC1HDAC2
Butane SCHEMBL7258069 1.00
Butane SCHEMBL17460145 0.86 TSHR (0.44) TSHRALDH1A1FFAR3HDAC1HDAC2
Butane SCHEMBL22813 0.86
Butane SCHEMBL1734106 0.84
Butane SCHEMBL8628663 0.84 TSHR (0.50) TSHRALDH1A1LMNATHRBCES2
Butane SCHEMBL2470336 0.84 TSHR (0.50) TSHRALDH1A1LMNATHRBCES2
Butane SCHEMBL9292387 0.84 TSHR (0.50) TSHRALDH1A1LMNATHRBCES2
Butane SCHEMBL3593 0.84
Butane SCHEMBL21633593 0.84 FFAR3 (0.54) TSHRALDH1A1FFAR3HDAC1HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014047117-A1 PROCESS FOR PREPARING PHOSPHORAMIDATE DERIVATIVES OF NUCLEOSIDE COMPOUNDS FOR TREATMENT OF VIRAL INFECTIONS BRISTOL-MYERS SQUIBB COMPANY (US) 2014-03-27 WO disclosed
US-20080249242-A1 Aqueous Vinyl Graft Copolymer Compositions DSM IP ASSETS B.V. (NL) 2008-10-09 US disclosed
EP-1928926-A1 AQUEOUS VINYL GRAFT COPOLYMER COMPOSITIONS DSMIP Assets B.V. (NL) 2008-06-11 EP disclosed
WO-2007039051-A1 AQUEOUS VINYL GRAFT COPOLYMER COMPOSITIONS DSM IP ASSETS B.V. (NL) 2007-04-12 WO disclosed
EP-1598400-A2 Wear-resistant coating composition and method of producing A coating Rohm and Haas Company (US) 2005-11-23 EP disclosed
EP-1162237-B1 Method of producing a wear-resistant coating ROHM & HAAS (US) 2005-10-19 EP disclosed
EP-0832949-B1 Coating composition having extended storage stability ROHM & HAAS (US) 2004-06-23 EP disclosed
US-6566437-B2 Polycarbodiimide, aqueous emulsion polymer reactive with the carbodiimide groups and an alkoxysilane, and the alkoxysilane has a group reactive with the emulsion polymer; traffic marking compositions ROHM AND HAAS COMPANY 2003-05-20 US disclosed
US-20020007001-A1 Wear-resistant coating composition and method of producing a coating ROHM AND HAAS COMPANY 2002-01-17 US disclosed
EP-1162237-A1 Wear-resistant coating composition and method of producing a coating ROHM AND HAAS COMPANY (US) 2001-12-12 EP disclosed
US-5939514-A ANIONICALLY STABILIZED BINDER POLYMER HAVING AT LEAST ONE REACTIVE FUNCTIONAL PENDENT MOIETY, OR A BLEND OF THE BINDER POLYMER AND A POLYFUNCTIONAL AMINE; QUICK-DRYING ROAD MARKING PAINTS CAN BE APPLIED WITH CONVENTIONAL STRIPING EQUIPMENT ROHM AND HAAS COMPANY (US) 1999-08-17 US disclosed
EP-0832949-A2 Coating composition having extended storage stability ROHM AND HAAS COMPANY (US) 1998-04-01 EP disclosed
EP-0754663-B1 Method for producing efflorescence resistant coating on cementitious substrate ROHM & HAAS (US) 1998-03-04 EP disclosed
US-5718943-A FOAMING AN AQUEOUS EVAPORABLE CARRIER CONTAINING A LATEX BINDER AND FOAMING AGENT; APPLYING; COLLAPSING ROHM AND HAAS COMPANY (US) 1998-02-17 US disclosed
EP-0754663-A1 Method for producing efflorescence resistant coating on cementitious substrate ROHM AND HAAS COMPANY (US) 1997-01-22 EP disclosed
US-4343728-A POLYMERIZED IN HIGH BOILING ALCOHOL HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 1982-08-10 US disclosed