SCHEMBL3737232

SCHEMBL3737232

CCC(C)[N+]1(C(C)CC)CCCC(=O)C1.COS(=O)(=O)[O-]

nearest known ligand 0.00

Known targets — ChEMBL curated mechanism

ACHECHRM1CHRM3

The experimentally established mechanism targets of None. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

⚠ 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
SCHEMBL3733062 0.85
Bromide SCHEMBL3742335 0.85
Hydrochloric Acid SCHEMBL3734780 0.85
SCHEMBL3741653 0.82
SCHEMBL3731526 0.76
SCHEMBL3738740 0.75
SCHEMBL3734493 0.74
SCHEMBL3739942 0.73 KDM4E (0.33)
SCHEMBL3736302 0.72 RECQL (0.30)
SCHEMBL3740019 0.68

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1900393-B1 Hydrogen peroxide activation with diones and imidazoles HENKEL AG & CO KGAA (DE) 2018-02-28 EP disclosed
EP-1862198-B1 Brightening and/or dyeing agent with urea derivatives HENKEL AG & CO KGAA (DE) 2017-04-05 EP disclosed
EP-2026754-B1 LIGHTENING AND/OR COLOURING AGENT COMPRISING CYCLIC UREA DERIVATIVES HENKEL AG & CO KGAA (DE) 2015-09-30 EP disclosed
EP-2012742-B1 BLEACHING AND/OR COLOURING AGENTS CONTAINING PIPERIDONES HENKEL AG & CO KGAA (DE) 2014-03-19 EP disclosed
US-20100278767-A1 Lightening Agents and/or Dyes that Contain Aldehyde(s) HENKEL AG & CO. KGAA (DE) 2010-11-04 US disclosed
EP-2051689-A1 LIGHTENING AGENTS AND/OR DYES THAT CONTAIN ALDEHYDE(S) Henkel AG & Co. KGaA (DE) 2009-04-29 EP disclosed
EP-2026754-A2 LIGHTENING AND/OR COLOURING AGENT COMPRISING CYCLIC UREA DERIVATIVES Henkel AG & Co. KGaA (DE) 2009-02-25 EP disclosed
EP-2012742-A1 BLEACHING AND/OR COLOURING AGENTS CONTAINING PIPERIDONES Henkel AG & Co. KGaA (DE) 2009-01-14 EP disclosed
EP-2007343-A1 BLEACHING AGENTS CONTAINING PIPERIDONES Henkel AG & Co. KGaA (DE) 2008-12-31 EP disclosed
WO-2008068140-A2 MEANS FOR BRIGHTENING COLOR MODIFICATION OF KERATINIC FIBERS, CONTAINING AN ALKYL PHOSPHORIC ACID ESTER HENKEL AG & CO. KGAA (DE) 2008-06-12 WO disclosed
WO-2008022996-A1 LIGHTENING AGENTS AND/OR COLORANTS CONTAINING POLYOL ESTERS HENKEL AG & CO. KGAA (DE) 2008-02-28 WO disclosed
EP-1892013-A2 Hydrogen peroxide activation with nonionic compounds Henkel Kommanditgesellschaft auf Aktien (DE) 2008-02-27 EP disclosed
EP-1891927-A2 Hydrogen peroxide activation with methanol (hetero)aromatic compounds Henkel Kommanditgesellschaft auf Aktien (DE) 2008-02-27 EP disclosed
WO-2008019986-A1 LIGHTENING AGENTS AND/OR DYES THAT CONTAIN ALDEHYDE(S) HENKEL AG & CO. KGAA (DE) 2008-02-21 WO disclosed
EP-1882495-A2 Hydrogen peroxide activation with anionic tensides Henkel Kommanditgesellschaft auf Aktien (DE) 2008-01-30 EP disclosed
EP-1882470-A2 Hydrogen peroxide activation with betaines and/or aminoxides Henkel Kommanditgesellschaft auf Aktien (DE) 2008-01-30 EP disclosed
WO-2007137676-A2 LIGHTENING AND/OR COLOURING AGENT COMPRISING CYCLIC UREA DERIVATIVES HENKEL AG & CO. KGAA (DE) 2007-12-06 WO disclosed
EP-1862198-A2 Brightening and/or dyeing agent with urea derivatives Henkel Kommanditgesellschaft auf Aktien (DE) 2007-12-05 EP disclosed
WO-2007118618-A1 BLEACHING AGENTS CONTAINING PIPERIDONES HENKEL AG & CO. KGAA (DE) 2007-10-25 WO disclosed
WO-2007118617-A1 BLEACHING AND/OR COLOURING AGENTS CONTAINING PIPERIDONES HENKEL AG & CO. KGAA (DE) 2007-10-25 WO disclosed