SCHEMBL2072245

SCHEMBL2072245

CNC(=O)C(Br)CCBr

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
SCHEMBL9714321 0.81
SCHEMBL6860777 0.77 ZDHHC7 (0.50)
SCHEMBL2078726 0.77 ZDHHC7 (0.33)
SCHEMBL2081233 0.76 ZDHHC7 (0.36)
SCHEMBL1770755 0.75
SCHEMBL8507691 0.74 CYP2C19 (0.45)
SCHEMBL7617300 0.73 CAPN1 (0.34)
SCHEMBL8507725 0.73 CPB2 (0.30)
SCHEMBL7624555 0.73 CTSK (0.39)
SCHEMBL7624561 0.73 CTSK (0.39)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4973708-A TRANSDERMAL ENHANCER FOR PENETRATION OF DRUGS THROUGH THE SKIN UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 1990-11-27 US claimed
US-8961946-B2 Hair processing agent and method for permanent waving hair SHOWA DENKO K.K. (JP) 2015-02-24 US disclosed
EP-2024330-B1 PRODUCTION METHOD OF HETEROCYCLIC MERCAPTO COMPOUND SHOWA DENKO KK (JP) 2012-04-25 EP disclosed
US-7902200-B2 3-[6-(Azetidine-1-carbonyl)pyridin-3-yl]oxy-5-[(3S)-1-methyl-2-oxo-pyrrolidin-3-yl]oxy-N-(5-methylpyrazin-2-yl)benzamide; activates glucokinase leading to decreased glucose threshold for insulin secretion and lowering of blood glucose by increasing hepatic glucose uptake; antidiabetic agents; obesity ASTRAZENECA AB (SE) 2011-03-08 US disclosed
US-7902200-B2 3-[6-(Azetidine-1-carbonyl)pyridin-3-yl]oxy-5-[(3S)-1-methyl-2-oxo-pyrrolidin-3-yl]oxy-N-(5-methylpyrazin-2-yl)benzamide; activates glucokinase leading to decreased glucose threshold for insulin secretion and lowering of blood glucose by increasing hepatic glucose uptake; antidiabetic agents; obesity ASTRAZENECA AB (SE) 2011-03-08 US disclosed
US-7902200-B2 3-[6-(Azetidine-1-carbonyl)pyridin-3-yl]oxy-5-[(3S)-1-methyl-2-oxo-pyrrolidin-3-yl]oxy-N-(5-methylpyrazin-2-yl)benzamide; activates glucokinase leading to decreased glucose threshold for insulin secretion and lowering of blood glucose by increasing hepatic glucose uptake; antidiabetic agents; obesity ASTRAZENECA AB (SE) 2011-03-08 US disclosed
US-7902383-B2 Production method of heterocyclic mercapto compound SHOWA DENKO K.K. (JP) 2011-03-08 US disclosed
CN-101721319-A hair relaxer SHOWA DENKO KK 2010-06-09 CN disclosed
EP-2086964-A2 BENZOYL AMINO HETEROCYCLYL COMPOUNDS USEFUL IN THE TREATMENT OF A DISEASE MEDIATED THROUGH GLK Astra Zeneca AB (SE) 2009-08-12 EP disclosed
US-20090171095-A1 PRODUCTION METHOD OF HETEROCYCLIC MERCAPTO COMPOUND SHOWA DENKO K.K. (JP) 2009-07-02 US disclosed
WO-2008050101-A2 BENZOYL AMINO HETEROCYCLYL COMPOUNDS USEFUL IN THE TREATMENT OF A DISEASE MEDIATED THROUGH GLK ASTRAZENECA AB (SE) 2008-05-02 WO disclosed
US-20080085251-A1 even at a neutral to weakly acidic pH; a lactone or lactam having a mercapto group; with thioglycolic acid, thiolactic acid, cysteine, acetylcysteine, cysteamine, acylcysteamine; RESONAC CORPORATION (JP) 2008-04-10 US disclosed
CN-101115529-A Hair relaxer SHOWA DENKO KK (JP) 2008-01-30 CN disclosed
WO-2007139215-A1 PRODUCTION METHOD OF HETEROCYCLIC MERCAPTO COMPOUND SHOWA DENKO K.K. (JP) 2007-12-06 WO disclosed
EP-1845940-A1 HAIR RELAXER Showa Denko K.K. (JP) 2007-10-24 EP disclosed
WO-2006083031-A1 HAIR RELAXER SHOWA DENKO K.K. (JP) 2006-08-10 WO disclosed
US-5032402-A 3-hydroxy-N-methylpyrrolidone and use as transdermal enhancer THE UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 1991-07-16 US disclosed
US-5032402-A 3-hydroxy-N-methylpyrrolidone and use as transdermal enhancer THE UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 1991-07-16 US disclosed
US-4973708-A TRANSDERMAL ENHANCER FOR PENETRATION OF DRUGS THROUGH THE SKIN UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 1990-11-27 US disclosed
US-4973708-A TRANSDERMAL ENHANCER FOR PENETRATION OF DRUGS THROUGH THE SKIN UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION (US) 1990-11-27 US disclosed