SCHEMBL1033713

SCHEMBL1033713

CC(C)=C(CN)C(N)=O

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
SCHEMBL5253704 0.79
SCHEMBL2329671 0.78 PAOX (0.37)
Ammonia Solution, Strong SCHEMBL20210811 0.77 TDP1 (0.42)
SCHEMBL2952157 0.77
Hydrochloric Acid SCHEMBL6937458 0.74 TDP1 (0.40)
SCHEMBL36269 0.74 PAOX (0.44)
Hydrochloric Acid SCHEMBL31621224 0.72 PAOX (0.43)
SCHEMBL2597380 0.72 PAOX (0.54)
SCHEMBL1720979 0.72 CES1 (0.41)
SCHEMBL8762451 0.72 ALDH1A1 (0.53)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1397403-B1 COPOLYMER WITH SURFACTANT BLOCKS PREPARED BY CONTROLLED FREE RADICAL POLYMERISATION RHODIA CHIMIE SA (FR) 2008-03-12 EP claimed
CN-1094106-A Be used for coagulant of papermaking alkali recovery and preparation method thereof WANG WENCHANG (CN) 1994-10-26 CN claimed
US-5358566-A Comprising polymer salt from polycarboxylic acid and nitrogenous acrylic polymer; preventing slump loss SANDOZ LTD. (CH) 1994-10-25 US claimed
CN-109422374-A A kind of leveling precision bio-chemical effluent deep treatment method and system 宝山钢铁股份有限公司 2019-03-05 CN disclosed
EP-1765276-B1 SHATTER RESISTANT ENCAPSULATED COLORANTS FOR NATURAL SKIN APPEARANCE BASF SE (DE) 2013-11-06 EP disclosed
EP-2276797-B1 POLYMER ENCAPSULATED COLOURANTS BY SPRAY DRYING BASF SE (DE) 2012-11-21 EP disclosed
US-20120149265-A1 PARTICULATE COMPOSITION BASF SE (DE) 2012-06-14 US disclosed
EP-2449050-A1 PARTICULATE COMPOSITION BASF SE (DE) 2012-05-09 EP disclosed
US-20110147965-A1 POLYMER ENCAPSULATED COLOURANTS BY SPRAY DRYING BASF SE (DE) 2011-06-23 US disclosed
US-7947294-B2 Shatter resistant encapsulated colorants for natural skin appearance BASF SE (DE) 2011-05-24 US disclosed
CN-101492231-B Method for innocent treatment of bottom oil sludge, scruff and active sludge in petro-chemical industry DECHUN LUO 2011-03-30 CN disclosed
US-20070287789-A1 Bleed-resistant colored microparticles CIBA SPECIALTY CHEMICALS CORP. 2007-12-13 US disclosed
WO-2007141169-A1 BLEED-RESISTANT COLORED MICROPARTICLES CIBA HOLDING INC. (CH) 2007-12-13 WO disclosed
EP-1765276-A1 SHATTER RESISTANT ENCAPSULATED COLORANTS FOR NATURAL SKIN APPEARANCE CIBA SPECIALTY CHEMICALS HOLDING INC. Patent Departement (CH) 2007-03-28 EP disclosed
WO-2005123009-A1 SHATTER RESISTANT ENCAPSULATED COLORANTS FOR NATURAL SKIN APPEARANCE CIBA SPECIALTY CHEMICALS HOLDING INC. (CH) 2005-12-29 WO disclosed
US-20050276774-A1 Shatter resistant encapsulated colorants for natural skin appearance CIBA CORPORATION 2005-12-15 US disclosed
CN-1219706-C High concentration high molecular poly iron type water purifier HOU YONG (CN) 2005-09-21 CN disclosed
CN-1473770-A High concentration high molecular poly iron type water purifier 侯 勇 2004-02-11 CN disclosed
CN-1094106-A Be used for coagulant of papermaking alkali recovery and preparation method thereof WANG WENCHANG (CN) 1994-10-26 CN disclosed
US-5358566-A Comprising polymer salt from polycarboxylic acid and nitrogenous acrylic polymer; preventing slump loss SANDOZ LTD. (CH) 1994-10-25 US disclosed