SCHEMBL688607

SCHEMBL688607

CC1=CC(C(C)O)([N+](=O)[O-])C(N)C=C1

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
SCHEMBL2371807 0.74
SCHEMBL11028532 0.72
SCHEMBL18037664 0.69
SCHEMBL2708566 0.62
SCHEMBL9398006 0.61
SCHEMBL10360064 0.60 ACHE (0.31)
SCHEMBL22470998 0.59 POLB (0.31)
SCHEMBL19410654 0.58
SCHEMBL9640307 0.55
SCHEMBL9639223 0.55

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115980205-B Quantitative and/or qualitative method for simultaneously measuring 54 hair dyes in hair dye product 江苏省食品药品监督检验研究院 2025-04-22 CN claimed
WO-2025047874-A1 HAIR DYE COMPOSITION COMPRISING BLUE DYES, BASIC RED OR YELLOW DYES AND A CATIONIC SURFACTANT HENKEL AG & CO. KGAA (DE) 2025-03-06 WO claimed
WO-2025047878-A1 HAIR DYE COMPOSITION COMPRISING BLUE DYES, UREA AND A CATIONIC SURFACTANT HENKEL AG & CO. KGAA (DE) 2025-03-06 WO claimed
US-20230414484-A1 GRANULATED HAIR DYE COMPOSITION WELLA GERMANY GMBH (DE) 2023-12-28 US claimed
CN-117222397-A Granular hair dyeing composition 威娜德国有限责任公司 2023-12-12 CN claimed
CN-115980205-A Quantitative and/or qualitative method for simultaneously measuring 54 hair dyes in hair dyeing product 江苏省食品药品监督检验研究院 2023-04-18 CN claimed
WO-2023017035-A1 HAIR COLORING COMPOSITIONS COMPRISING HYDROXYALKYL AMINES AS ALKALISING AGENTS WELLA GERMANY GMBH (DE) 2023-02-16 WO claimed
CN-114246807-A Acidic hair dye composition 朋友株式会社 2022-03-29 CN claimed
CN-112955112-A Two-component system for artificial hair coloring 汉高股份有限及两合公司 2021-06-11 CN claimed
US-9993413-B2 Keratin fibre dyeing composition BEAUTY & BUSINESS S.P.A. (IT) 2018-06-12 US claimed
US-20090056039-A1 DYE-CONTAINING PELLETS FOR COLORING KERATIN FIBERS HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2009-03-05 US claimed
US-7458992-B2 Dye-containing pellets for dyeing keratin fibres WELLA AG (DE) 2008-12-02 US claimed
EP-1670423-B1 DYE-CONTAINING PELLETS FOR DYEING KERATIN FIBRES WELLA AG (DE) 2008-10-08 EP claimed
US-20070199159-A1 Dye-containing pellets and their use PROCTER & GAMBLE COMPANY, THE 2007-08-30 US claimed
WO-2007093954-A1 DYE-CONTAINING PELLETS AND THEIR USE THE PROCTER & GAMBLE COMPANY (US) 2007-08-23 WO claimed
EP-1820487-A1 Dye-containing pellets and their use Wella Aktiengesellschaft (DE) 2007-08-22 EP claimed
US-20070000069-A1 Agent for colouring keratin fibres HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2007-01-04 US claimed
US-20060162097-A1 Dye-containing pellets for dyeing keratin fibres HFC PRESTIGE INTERNATIONAL OPERATIONS SWITZERLAND SÀRL (CH) 2006-07-27 US claimed
EP-1670423-A1 DYE-CONTAINING PELLETS FOR DYEING KERATIN FIBRES Wella Aktiengesellschaft (DE) 2006-06-21 EP claimed
WO-2005044208-A1 DYE-CONTAINING PELLETS FOR DYEING KERATIN FIBRES WELLA AKTIENGESELLSCHAFT (DE) 2005-05-19 WO claimed