SCHEMBL1121644

SCHEMBL1121644

CC(C)(C)CCCCCC(=O)[O-].CC(C)(C)CCCCCC(=O)[O-].[Ca+2]

nearest known ligand 0.54

Known targets — ChEMBL curated mechanism

GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BHMGCRMMP1MMP13MMP7MMP8PTGS1PTGS2ileSpolrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

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.

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.46
FABP3 P05413 9/20 0.45
FFAR3 O14843 2/20 0.40
HDAC3 O15379 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
BBOX1 O75936 2/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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
SCHEMBL887075 1.00 CA1 (0.46) CA1FABP3FFAR3HDAC3HDAC1
SCHEMBL3930736 1.00 CA1 (0.46) CA1FABP3FFAR3HDAC3HDAC1
SCHEMBL640842 0.98 CA1 (0.44) CA1FABP3FFAR3HDAC3HDAC1
SCHEMBL11011436 0.98 CA1 (0.44) CA1FABP3FFAR3HDAC3HDAC1
SCHEMBL5575143 0.98 CA1 (0.44) CA1FABP3FFAR3HDAC3HDAC1
SCHEMBL23174700 0.98 CA1 (0.44) CA1FABP3FFAR3HDAC3HDAC1
SCHEMBL10825634 0.98 CA1 (0.44) CA1FABP3FFAR3HDAC3HDAC1
SCHEMBL21384974 0.98 CA1 (0.44) CA1FABP3FFAR3HDAC3HDAC1
Silver SCHEMBL21899896 0.98 CA1 (0.44) CA1FABP3FFAR3HDAC3HDAC1
SCHEMBL22439765 0.98 CA1 (0.44) CA1FABP3FFAR3HDAC3HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3875541-B1 COMPOSITION AND METHOD FOR PRODUCING SILICONE MASSES AND USE THEREOF POLYU GMBH (DE) 2024-08-14 EP claimed
CN-113683577-B Synthesis method of hexamethylene diisocyanate trimer 宁夏瑞泰科技股份有限公司 2024-07-05 CN claimed
CN-116836652-A High-temperature-resistant weld joint sealant for aluminum vehicle body and preparation method thereof 济南汉斯曼时代技术有限公司 2023-10-03 CN claimed
US-20230097205-A1 COMPOSITION AND METHOD FOR PRODUCING SILICONE COMPOUNDS, AND USE THEREOF POLYU GMBH (DE) 2023-03-30 US claimed
CN-114316468-A High-toughness polyvinyl chloride sheet 苏州锐驰朗新材料有限公司 2022-04-12 CN claimed
EP-3976691-A1 ISOCYANATE-FREE CHAIN EXTENSION AND CROSSLINKING BY MEANS OF FUNCTIONAL SILANES PolyU GmbH (DE) 2022-04-06 EP claimed
CN-113683577-A Synthetic method of hexamethylene diisocyanate trimer 宁夏瑞泰科技股份有限公司 2021-11-23 CN claimed
WO-2021175844-A1 COMPOSITION AND PROCESS FOR PREPARING SILICONE COMPOUNDS, AND USE THEREOF POLYU GMBH (DE) 2021-09-10 WO claimed
EP-3875541-A1 COMPOSITION AND METHOD FOR PRODUCING SILICONE MASSES AND USE THEREOF PolyU GmbH (DE) 2021-09-08 EP claimed
CN-110724453-B Water-based plant-based wood maintenance agent 中航百慕新材料技术工程股份有限公司 2021-07-30 CN claimed
US-8067483-B2 Adjuvant-mediated reactivity enhancement of polymerizable diacetylenic materials TEMPTIME CORPORATION (US) 2011-11-29 US claimed
US-20100166948-A1 Transparent Conductive Layer and Preparation Method Thereof INKTEC CO., LTD. (KR) 2010-07-01 US claimed
WO-2009010723-A1 BONDING COMPOSITIONS AKCROS CHEMICALS LTD. (GB) 2009-01-22 WO claimed
WO-2008153356-A2 TRANSPARENT CONDUCTIVE LAYER AND PREPARATION METHOD THEREOF INKTEC CO., LTD. (KR) 2008-12-18 WO claimed
US-6825275-B2 MIXTURE OF NICKEL AND MOLYBDENUM COMPOUNDS; HEXAMETHYLENETETRAMINE AND METAMINE DERIVATIVE; PHENOL OR CRESOL RESINS, RESORCIN OR DERIVATIVES; AND CALCIUM COMPOUND TOYO TIRE & RUBBER CO., LTD. (JP) 2004-11-30 US claimed
US-5057148-A Method of decalcifying rare earth metals formed by the reduction-diffusion process GENERAL MOTORS CORPORATION (US) 1991-10-15 US claimed
US-4353995-A TERTIARY AMINE, TIN COMPOUND, AND BARIUM OR CALCIUM CARBOXYLATE MOBAY CHEMICAL CORPORATION (US) 1982-10-12 US claimed
EP-0016355-A2 Novel catalyst system for polyurethane foams and the use thereof Mobay Chemical Corporation (US) 1980-10-01 EP claimed
US-4217247-A TERTIARY AMINE, TIN COMPOUND, CALCIUM OR BARIUM CARBOXYLATE MOBAY CHEMICAL CORPORATION (US) 1980-08-12 US claimed
US-4028328-A MELAMINE, ANTIPINKING AGENTS SELECTED FROM CARBOXYLIC ACID ESTERS, AND SALTS OF TRIALKYL ACETIC ACIDS EXXON RESEARCH AND ENGINEERING COMPANY (US) 1977-06-07 US claimed