SCHEMBL838674

SCHEMBL838674

CC[CH]OC(O)CCC

nearest known ligand 0.00

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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
SCHEMBL6902781 0.83 TSHR (0.31)
SCHEMBL111350 0.79
SCHEMBL6836088 0.78
SCHEMBL4607862 0.77
SCHEMBL6062824 0.76
SCHEMBL6062837 0.76
SCHEMBL9725284 0.76
SCHEMBL36630 0.75
SCHEMBL6284787 0.75
SCHEMBL1475751 0.73

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8506654-B2 Disperse dye mixtures which have a high degree of light fastness and build-up DYSTAR L.P. (US) 2013-08-13 US claimed
US-20120246843-A1 DISPERSE DYE MIXTURES WHICH HAVE A HIGH DEGREE OF LIGHT FASTNESS AND BUILD-UP DYSTAR L.P. (US) 2012-10-04 US claimed
US-8142520-B2 Blue anthraquinone dyes, production and use thereof DYSTAR COLOURS DEUTSCHLAND GMBH (DE) 2012-03-27 US claimed
EP-1644447-B1 DISPERSE DYE MIXTURES WHICH HAVE A HIGH DEGREE OF LIGHT FASTNESS DYSTAR COLOURS DEUTSCHLAND (DE) 2011-08-10 EP claimed
US-7824451-B2 blue anthraquinone and anthra(2,3-c)pyrrolidinedione pigments; dyeing very fine polyester fibers; also with red and/or yellow pigments DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2010-11-02 US claimed
US-20100064452-A1 BLUE ANTHRAQUINONE DYES, PRODUCTION AND USE THEREOF DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2010-03-18 US claimed
EP-2069435-A1 BLUE ANTHRAQUINONE DYES, PRODUCTION AND USE THEREOF DyStar Textilfarben GmbH & Co. Deutschland KG (DE) 2009-06-17 EP claimed
US-20080189882-A1 Hot-Light Resistant Blue Dispersion Dyes DYSTAR TEXTIFARBEN GMBH & CO. DEUTSCHLAND (DE) 2008-08-14 US claimed
WO-2008025733-A1 BLUE ANTHRAQUINONE DYES, PRODUCTION AND USE THEREOF DYSTAR TEXTILFARBEN GMBH & CO DEUTSCHLAND KG (DE) 2008-03-06 WO claimed
EP-1891164-A2 HOT-LIGHT RESISTANT BLUE DISPERSION DYES DyStar Textilfarben GmbH &amp; Co. Deutschland KG (DE) 2008-02-27 EP claimed
US-20070271710-A1 Disperse Dyes for Poly(Lactic Acid) Based Fibers DYSTAR TEXTIFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2007-11-29 US claimed
WO-2006128869-A2 HOT-LIGHT RESISTANT BLUE DISPERSION DYES DYSTAR TEXTILFARBEN GMBH & CO DEUTSCHLAND KG (DE) 2006-12-07 WO claimed
US-20060230549-A1 blue anthraquinone and anthra(2,3-c)pyrrolidinedione pigments; dyeing very fine polyester fibers; also with red and/or yellow pigments DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2006-10-19 US claimed
EP-1644447-A1 DISPERSE DYE MIXTURES WHICH HAVE A HIGH DEGREE OF LIGHT FASTNESS DyStar Textilfarben GmbH &amp; Co. Deutschland KG (DE) 2006-04-12 EP claimed
WO-2006003088-A1 DISPERSE DYES FOR POLY(LACTIC ACID) BASED FIBERS DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2006-01-12 WO claimed
WO-2005005552-A1 DISPERSE DYE MIXTURES WHICH HAVE A HIGH DEGREE OF LIGHT FASTNESS DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2005-01-20 WO claimed
US-9051468-B2 Dyes for polymer coloration, their preparation and their use CLARIANT INTERNATIONAL LTD (CH) 2015-06-09 US disclosed
EP-2379647-B1 DYES FOR POLYMER COLORATION, THEIR PREPARATION AND THEIR USE CLARIANT INT LTD (CH) 2014-09-24 EP disclosed
EP-0111236-B1 PYRIDONE DYESTUFFS BASF Aktiengesellschaft (DE) 1986-07-30 EP disclosed
EP-0111236-A1 Pyridone dyestuffs BASF Aktiengesellschaft (DE) 1984-06-20 EP disclosed