SCHEMBL8056644

SCHEMBL8056644

CS(=O)(=O)O.[Zr]

nearest known ligand 0.00

Known targets — ChEMBL curated mechanism

ABL1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB2AGTR1BCL2BCL2A1BCL2L1BCL2L10BCL2L2BCRBRAFCHRM1CHRNA10CHRNA9DRD1DRD2DRD3DRD4DRD5EGFRF2FLT1FLT4GCKGHSRGNRHRGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHTR1AHTR1BHTR1DHTR2AHTR2CHTR3AIDH2KDRKITMAOBMCL1MTTPPP4HBPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PIKFYVEROCK1ROCK2SLC18A2SLC6A2SLC6A3SLC6A4TACR1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8gyrAgyrBparCparEpol

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
SCHEMBL27485460 1.00 CA2 (0.54)
SCHEMBL128169 0.94
SCHEMBL246838 0.94 CA2 (0.58)
SCHEMBL8596055 0.94 CA2 (0.58)
SCHEMBL105 0.94
SCHEMBL15109974 0.94
SCHEMBL25599 0.94 CA2 (0.58)
SCHEMBL579101 0.89
SCHEMBL22749161 0.89
SCHEMBL587727 0.89

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2817435-B1 REPLENISHING COMPOSITIONS AND METHODS OF REPLENISHING PRETREATMENT COMPOSITIONS PPG IND OHIO INC (US) 2016-02-17 EP claimed
EP-2817435-A1 REPLENISHING COMPOSITIONS AND METHODS OF REPLENISHING PRETREATMENT COMPOSITIONS PPG Industries Ohio, Inc. (US) 2014-12-31 EP claimed
WO-2013126632-A1 REPLENISHING COMPOSITIONS AND METHODS OF REPLENISHING PRETREATMENT COMPOSITIONS PPG INDUSTRIES OHIO, INC. (US) 2013-08-29 WO claimed
US-20120145039-A1 REPLENISHING COMPOSITIONS AND METHODS OF REPLENISHING PRETREATMENT COMPOSITIONS PPG INDUSTRIES OHIO, INC. (US) 2012-06-14 US claimed
EP-0736523-B1 Zirconium compounds of sulfonic acids ATOCHEM NORTH AMERICA ELF (US) 2000-05-17 EP claimed
US-5614650-A CATALYSTS ATOFINA CHEMICALS, INC., A CORP. OF PENNSYLVANIA 1997-03-25 US claimed
CN-1134412-A Zirconium compounds of sulfonic acids ATOCHEM NORTH AMERICA ELF (US) 1996-10-30 CN claimed
EP-0736523-A2 Zirconium compounds of sulfonic acids ELF ATOCHEM NORTH AMERICA, INC. (US) 1996-10-09 EP claimed
CN-117886731-A Preparation method and application of 1, 5-dimethyl-2-pyrrolidone 安徽利科新材料科技有限公司 2024-04-16 CN disclosed
CN-107722148-B Solid polyaluminoxane composition, catalyst for olefin polymerization, and method for producing olefin polymer 三井化学株式会社 2021-06-08 CN disclosed
CN-107722146-B Method for producing solid polyaluminoxane composition 三井化学株式会社 2021-02-26 CN disclosed
CN-108218806-B A kind of preparation method of N- tertbutyloxycarbonyl morpholine -3- carboxylic acid 上海馨远医药科技有限公司 2019-03-01 CN disclosed
CN-108218806-A A kind of preparation method of N- tertbutyloxycarbonyls morpholine -3- carboxylic acids 上海馨远医药科技有限公司 2018-06-29 CN disclosed
CN-104045663-B The symmetrical hyperbranched silicone modified polymerizable compound of type and its modular manufacture method 信越化学工业株式会社 2017-07-14 CN disclosed
CN-1140728-A Olefinic thermoplastic elastomer composition MITSUI PETROCHEMICAL IND (JP) 1997-01-22 CN disclosed
CN-1139676-A Ethylene copolymer rubber, sulphurable rubber combination containing copolymer rubber and preparation process for same MITSUI PETROCHEMICAL IND (JP) 1997-01-08 CN disclosed
CN-1134412-A Zirconium compounds of sulfonic acids ATOCHEM NORTH AMERICA ELF (US) 1996-10-30 CN disclosed
EP-0736523-A2 Zirconium compounds of sulfonic acids ELF ATOCHEM NORTH AMERICA, INC. (US) 1996-10-09 EP disclosed
CN-1100429-A Olefin polymerization catalysts and methods of olefin polymerization MITSUI PETROCHEMICAL IND (JP) 1995-03-22 CN disclosed
CN-1069279-A Olefin polymer compositions MITUSI PETROCHEMICAL INC LTD (JP) 1993-02-24 CN disclosed