Butane

Butane

SCHEMBL1032644

C=CC(=O)OC(N)CCC.CCCC

nearest known ligand 0.41

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 10/20 0.41
HPGD P15428 1/20 0.41
THRB P10828 3/20 0.35
ALDH1A1 P00352 6/20 0.33
TP53 P04637 3/20 0.33
HIF1A Q16665 3/20 0.33
CYP3A4 P08684 3/20 0.33
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GRIK1 P39086 1/20 0.32
SLC1A3 P43003 1/20 0.32
SLC1A2 P43004 1/20 0.32
SLC1A1 P43005 1/20 0.32
GRIK2 Q13002 1/20 0.32
HSD17B10 Q99714 1/20 0.32
SLC6A3 Q01959 2/20 0.31
CHRM1 P11229 1/20 0.31
AKR1A1 P14550 1/20 0.31
CHRM3 P20309 1/20 0.31
HTR2A P28223 1/20 0.31

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
SCHEMBL1561977 0.98 TSHR (0.42) TSHRHPGDTHRBALDH1A1TP53
Hydrochloric Acid SCHEMBL28477493 0.96 TSHR (0.41) TSHRHPGDTHRBALDH1A1TP53
Sulfuric Acid SCHEMBL31228601 0.91 TSHR (0.38) TSHRHPGDTHRBALDH1A1TP53
Butane SCHEMBL5057276 0.87 TSHR (0.46) TSHRHPGDTHRBTP53GRIK1
SCHEMBL6689525 0.87 TSHR (0.51) TSHRHPGDTHRBALDH1A1CYP3A4
Butane SCHEMBL1034123 0.86 TSHR (0.42) TSHRHPGDTHRBALDH1A1TP53
SCHEMBL1562680 0.85 TSHR (0.47) TSHRHPGDTHRBTP53GRIK1
SCHEMBL2358225 0.84 TSHR (0.46) TSHRHPGDTHRBTP53GRIK1
SCHEMBL9586573 0.84 TSHR (0.46) TSHRHPGDTHRBTP53GRIK1
SCHEMBL1561590 0.84 TSHR (0.46) TSHRHPGDTHRBTP53GRIK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1765276-B1 SHATTER RESISTANT ENCAPSULATED COLORANTS FOR NATURAL SKIN APPEARANCE BASF SE (DE) 2013-11-06 EP disclosed
EP-2276797-B1 POLYMER ENCAPSULATED COLOURANTS BY SPRAY DRYING BASF SE (DE) 2012-11-21 EP disclosed
US-20120149265-A1 PARTICULATE COMPOSITION BASF SE (DE) 2012-06-14 US disclosed
EP-2449050-A1 PARTICULATE COMPOSITION BASF SE (DE) 2012-05-09 EP disclosed
US-20110147965-A1 POLYMER ENCAPSULATED COLOURANTS BY SPRAY DRYING BASF SE (DE) 2011-06-23 US disclosed
US-7947294-B2 Shatter resistant encapsulated colorants for natural skin appearance BASF SE (DE) 2011-05-24 US disclosed
EP-2276797-A1 POLYMER ENCAPSULATED COLOURANTS BY SPRAY DRYING BASF SE (DE) 2011-01-26 EP disclosed
WO-2011000688-A1 PARTICULATE COMPOSITION BASF SE (DE) 2011-01-06 WO disclosed
WO-2009135791-A1 POLYMER ENCAPSULATED COLOURANTS BY SPRAY DRYING BASF SE (DE) 2009-11-12 WO disclosed
EP-2029091-A2 BLEED-RESISTANT COLORED MICROPARTICLES AND SKIN CARE COMPOSITIONS COMPRISING THEM The Procter and Gamble Company (US) 2009-03-04 EP disclosed
EP-2029090-A1 BLEED-RESISTANT COLORED MICROPARTICLES Ciba Holding Inc. (CH) 2009-03-04 EP disclosed
US-20080281014-A1 Nanosubstance-Containing Composition, Process for Producing the Same, and Composite Made With the Same MITSUBISHI RAYON CO., LTD. (JP) 2008-11-13 US disclosed
US-20070287789-A1 Bleed-resistant colored microparticles CIBA SPECIALTY CHEMICALS CORP. 2007-12-13 US disclosed
WO-2007141742-A2 BLEED-RESISTANT COLORED MICROPARTICLES AND SKIN CARE COMPOSITIONS COMPRISING THEM THE PROCTER & GAMBLE COMPANY (US) 2007-12-13 WO disclosed
WO-2007141169-A1 BLEED-RESISTANT COLORED MICROPARTICLES CIBA HOLDING INC. (CH) 2007-12-13 WO disclosed
US-20070286824-A1 Bleed-resistant colored microparticles and skin care compositions comprising them PROCTER & GAMBLE COMPANY, THE 2007-12-13 US disclosed
EP-1765276-A1 SHATTER RESISTANT ENCAPSULATED COLORANTS FOR NATURAL SKIN APPEARANCE CIBA SPECIALTY CHEMICALS HOLDING INC. Patent Departement (CH) 2007-03-28 EP disclosed
WO-2005123009-A1 SHATTER RESISTANT ENCAPSULATED COLORANTS FOR NATURAL SKIN APPEARANCE CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2005-12-29 WO disclosed
US-20050276774-A1 Shatter resistant encapsulated colorants for natural skin appearance CIBA CORPORATION 2005-12-15 US disclosed