SCHEMBL4650474

SCHEMBL4650474

CC(Br)C(=O)Br

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
SCHEMBL5316208 1.00
SCHEMBL35246 1.00
Water SCHEMBL5032482 0.93
Water SCHEMBL5032484 0.93
Ether SCHEMBL22264689 0.80 ALDH1A1 (0.36)
SCHEMBL138447 0.78
SCHEMBL19972184 0.77
SCHEMBL233694 0.75
SCHEMBL233072 0.75
SCHEMBL11161122 0.75 ALDH1A1 (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7108727-B2 Reactive dyes and the use thereof for dyeing substrates containing nucleophilic groups BASF AKTIENGELLSCHAFT (DE) 2006-09-19 US claimed
US-20030019055-A1 Reactive dye mixture DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2003-01-30 US claimed
EP-1196502-A2 REACTIVE DYE MIXTURES DyStar Textilfarben GmbH & Co. Deutschland KG (DE) 2002-04-17 EP claimed
WO-2001000736-A2 REACTIVE DYE MIXTURES DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2001-01-04 WO claimed
US-5681937-A Reactive azo dyes with a coupling component from the aminonaphthalenesulfonic acid series BASF AKTIENGESELLSCHAFT (DE) 1997-10-28 US claimed
EP-1000123-B1 USE OF REACTIVE DYES FOR DYEING HAIR BASF SE (DE) 2008-09-10 EP disclosed
US-7108727-B2 Reactive dyes and the use thereof for dyeing substrates containing nucleophilic groups BASF AKTIENGELLSCHAFT (DE) 2006-09-19 US disclosed
US-6989036-B2 Reactive dyes and use thereof for dyeing substrates containing nucleophilic groups BASF AKTIENGELLSCHAFT (DE) 2006-01-24 US disclosed
EP-1368433-B1 NOVEL REACTIVE DYES AND THE USE THEREOF FOR DYEING SUBSTRATES CONTAINING NUCLEOPHILIC GROUPS BASF AG (DE) 2005-08-10 EP disclosed
US-6800099-B2 DIAZO, MONOAZO, AZOPYRIDONE, AZONAPHTHYL, DIAZOAMINONAPHTHYL, FORMAZAN, AND TRIPHENODIOXAZINE DYES DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2004-10-05 US disclosed
US-20040102616-A1 Novel reactive dyes and use thereof for dyeing substrates containing nucleophilic groups BASF AKTIENGESELLSCHAFT (DE) 2004-05-27 US disclosed
US-20040088804-A1 Novel reactive dyes and the use thereof for dyeing substrates containing nucleophilic groups BASF AKTIENGESELLSCHAFT (DE) 2004-05-13 US disclosed
WO-1996010610-A1 REACTIVE AZO DYES WITH A COUPLER OF THE AMINONAPHTHALENE SERIES BASF AKTIENGESELLSCHAFT (DE) 1996-04-11 WO disclosed
US-5488100-A METALLIZED DYES FOR PRINTING AND FIBER REACTIVE DYES FOR CELLULOSE BASF AKTIENGESELLSCHAFT (DE) 1996-01-30 US disclosed
US-5488127-A METALLIZED DYES FOR PRINTING AND FIBER REACTIVE DYES FOR CELLULOSE BASF AKTIENGESELLSCHAFT (DE) 1996-01-30 US disclosed
EP-0463478-B1 Reactive dyes having a triphendioxazin chromophor BASF AG (DE) 1995-12-13 EP disclosed
US-5446193-A Reacting a benzoxazolone with an amine to form a chemical intermediate for formazan dyes BASF AKTIENGESELLSCHAFT (DE) 1995-08-29 US disclosed
EP-0592980-A2 Reactive dyes of formazan type containing at least two reactive groups and Aminophenols BASF Aktiengesellschaft (DE) 1994-04-20 EP disclosed
US-5194607-A REACTIVE DYES WITH A TRIPHENDIOXAZINE CHROMOPHORE BASF AKTIENGESELLSCHAFT (DE) 1993-03-16 US disclosed
EP-0463478-A2 Reactive dyes having a triphendioxazin chromophor BASF Aktiengesellschaft (DE) 1992-01-02 EP disclosed