SCHEMBL1033770

SCHEMBL1033770

NCC1(N)C=CC=CC1O

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
SCHEMBL1569242 0.84
SCHEMBL29264384 0.82
SCHEMBL29264386 0.82
SCHEMBL7370064 0.82
SCHEMBL10438965 0.79
SCHEMBL1436523 0.77
SCHEMBL4725647 0.74
SCHEMBL28159224 0.74
SCHEMBL2026923 0.73
Bromide SCHEMBL15942199 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0874615-A1 COLORANTS FOR COLOURING KERATIN FIBRES Wella Aktiengesellschaft (DE) 1998-11-04 EP claimed
WO-1998019661-A1 COLORANTS FOR COLOURING KERATIN FIBRES WELLA AKTIENGESELLSCHAFT (DE) 1998-05-14 WO claimed
EP-3362037-A1 LIQUID HAIR DYE WITH OPTIMIZED DYING PERFORMANCE AND CARE Henkel AG & Co. KGaA (DE) 2018-08-22 EP disclosed
EP-3313531-A1 PRODUCTS FOR THE OXIDATIVE DYEING OF HAIR IN COPPER SHADES WITH IMPROVED GRAY COVERAGE Henkel AG & Co. KGaA (DE) 2018-05-02 EP disclosed
WO-2017063853-A1 LIQUID HAIR DYE WITH OPTIMIZED DYING PERFORMANCE AND CARE HENKEL AG & CO. KGAA (DE) 2017-04-20 WO disclosed
EP-2355778-A2 IMPROVED BEACHING WITH CONCOMITANT HAIR TONICIZING Henkel AG & Co. KGaA (DE) 2011-08-17 EP disclosed
EP-2271302-A1 BLEACHING AGENT HAVING CATIONIC ACYL PYRIDINIUM DERIVATIVES, CO-BLEACHING ACTIVATORS, AND HYDROGEN PEROXIDE Henkel AG & Co. KGaA (DE) 2011-01-12 EP disclosed
EP-2200735-A1 METHOD FOR THE CONTINUOUS PRODUCTION OF COLORING AGENTS FOR KERATINIC FIBERS Henkel AG & Co. KGaA (DE) 2010-06-30 EP disclosed
WO-2010066720-A2 IMPROVED BEACHING WITH CONCOMITANT HAIR TONICIZING HENKEL AG & CO. KGAA (DE) 2010-06-17 WO disclosed
WO-2009135700-A1 BLEACHING AGENT HAVING CATIONIC ACYL PYRIDINIUM DERIVATIVES, CO-BLEACHING ACTIVATORS, AND HYDROGEN PEROXIDE HENKEL AG & CO. KGAA (DE) 2009-11-12 WO disclosed
WO-2009053127-A1 METHOD FOR THE CONTINUOUS PRODUCTION OF COLORING AGENTS FOR KERATINIC FIBERS HENKEL AG & CO. KGAA (DE) 2009-04-30 WO disclosed
WO-2009027237-A2 KIT FOR THE PROVISION OF COLORANTS HENKEL AG & CO. KGAA (DE) 2009-03-05 WO disclosed
WO-2006023438-A1 2-(AMINO OR SUBSTITUTED AMINO)-3-5-6-SUBSTITUTED PHENOL COMPOUNDS, DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2006-03-02 WO disclosed
US-20040122782-A1 Process for determining the composition of a dye product L'OREAL (FR) 2004-06-24 US disclosed