SCHEMBL7744361

SCHEMBL7744361

CCCCCC[O-].[Na+]

nearest known ligand 0.00

Known targets — ChEMBL curated mechanism

ABCC8ACEADORA1ADORA2AADORA2BADORA3ALDH5A1ALOX5ALOX5APATP4AATP4BBRAFCA1CA12CA2CA4CYSLTR1DHFRDPEP1EDNRAEDNRBESR2F10FDPSFGF1GABBR1GABBR2GABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGARTGNRHRGSC1HMGCRIMPDH1IMPDH2KCNJ11LY96NOD2NR3C1NS3NS4ANS5bP2RY1P2RY12P2RY2P2RY4P2RY6PBP2XPDE3APDE3BPDE4APDE4BPDE4CPDE4DPDK1PDK2PDK3PDK4PPARGPPATPTGIRPTGS1PTGS2RAF1RYR1RYR3SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASERPINC1SLC12A1SLC12A3SYKTHRATHRBTLR3TLR4TLR9TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYMSVKORC1XDHblablaIMP-1blaOXA-33blaOXA-58blaT-3blaT-4blaT-5blaT-6dacAdacBdacCfolAfolPfolP1ftsIfusAgaggyrAgyrBmecAmrcAmrcBmrdApbp1apbp1bpbp2pbp2apbp2bpbp3pbp4pbpApbpBpbpCpbpFpolponBrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpoArpoBrpoCrpoZrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

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
SCHEMBL7710689 1.00 TSHR (0.57)
SCHEMBL7704836 1.00 TSHR (0.57)
SCHEMBL10364806 1.00
SCHEMBL29880995 1.00 TSHR (0.57)
SCHEMBL10757626 1.00 TSHR (0.57)
SCHEMBL29558624 1.00 TSHR (0.57)
SCHEMBL11353224 1.00 TSHR (0.57)
SCHEMBL9328424 1.00 TSHR (0.57)
SCHEMBL7738518 0.96
SCHEMBL29407263 0.96 TSHR (0.50)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240415847-A1 BETA-LACTAMASE INHIBITORS AND USES THEREOF ARIXA PHARMACEUTICALS, INC. (US) 2024-12-19 US disclosed
EP-3860999-B9 DERIVATIVES OF RELEBACTAM AND USES THEREOF ARIXA PHARMACEUTICALS INC (US) 2024-08-14 EP disclosed
EP-3860999-B1 DERIVATIVES OF RELEBACTAM AND USES THEREOF ARIXA PHARMACEUTICALS INC (US) 2024-06-05 EP disclosed
EP-3625233-B9 3-(((((2S,5R)-2-CARBAMOYL-7-OXO-1,6-DIAZABICYCLO[3.2.1]OCTAN-6-YL)OXY)SULFONYL)OXY)-2,2-DIMETHYLPROPANOATE DERIVATIVES AND RELATED COMPOUNDS AS PERORALLY ADMINISTERED PROFRUGS OF BETA-LACTAMASE INHIBITORS FOR TREATING BACTERIAL INFECTIONS ARIXA PHARMACEUTICALS INC (US) 2023-10-25 EP disclosed
EP-3625233-B1 3-(((((2S,5R)-2-CARBAMOYL-7-OXO-1,6-DIAZABICYCLO[3.2.1]OCTAN-6-YL)OXY)SULFONYL)OXY)-2,2-DIMETHYLPROPANOATE DERIVATIVES AND RELATED COMPOUNDS AS PERORALLY ADMINISTERED PROFRUGS OF BETA-LACTAMASE INHIBITORS FOR TREATING BACTERIAL INFECTIONS ARIXA PHARMACEUTICALS INC (US) 2023-07-12 EP disclosed
US-20230201218-A1 BETA-LACTAMASE INHIBITORS AND USES THEREOF ARIXA PHARMACEUTICALS, INC. (US) 2023-06-29 US disclosed
EP-3676247-B1 AZTREONAM DERIVATIVES AND USES THEREOF ARIXA PHARMACEUTICALS INC (US) 2023-03-08 EP disclosed
CN-110662746-B Compounds as orally administered prodrugs of beta-lactamase inhibitors, pharmaceutical compositions thereof and use for treating bacterial infections 阿里萨制药有限公司 2022-08-19 CN disclosed
US-11180500-B2 Derivatives of relebactam and uses thereof ARIXA PHARMACEUTICALS, INC. (US) 2021-11-23 US disclosed
US-20210009580-A1 AZTREONAM DERIVATIVES AND USES THEREOF ARIXA PHARMACEUTICALS, INC. 2021-01-14 US disclosed
CN-101238155-A Method of taking (meth)acrylic ester polymer out of liquid reaction mixture KURARAY CO (JP) 2008-08-06 CN disclosed
CN-100355827-C Process for the preparation of vinylic polymers, polymerization initiator for vinylic monomers, and styrene resin composition ASAHI CHEMICAL IND (JP) 2007-12-19 CN disclosed
CN-1680476-A Process for the preparation of vinylic polymers, polymerization initiator for vinylic monomers, and styrene resin composition ASAHI CHEMICAL IND (JP) 2005-10-12 CN disclosed
CN-1208353-C Process for producing vinyl polymer, vinyl monomer polymerization initiator and styrene resin composition ASAHI CHEMICAL IND (JP) 2005-06-29 CN disclosed
CN-1118496-C Preparation of conjugated diene and/or monovinyl arene polymer SHENGJIE INDUSTRY CO LTD JIANG (CN) 2003-08-20 CN disclosed
CN-1118493-C Process for preparing atactic copolymer of conjugated diene and monovinyl arylhydrocarbon RES INST OF YANSHAN PETRO CHEM (CN) 2003-08-20 CN disclosed
US-6429273-B1 ANIONIC POLYMERIZATION OF STYRENE USING MAGNESIUM AND ALKALI METAL-BASED INITIATORS; CONTROLLED MOLECULAR WEIGHT DISTRIBUTION; CONTROLLABLE RATE PREVENTS RUNAWAY REACTION; EXCELLENT MOLDING CHARACTERISTICS ASAHI KASEI KABUSHIKI KAISHA (JP) 2002-08-06 US disclosed
CN-1269371-A Preparation of conjugated diene and/or monovinyl arene polymer JIANGSU SHENGJIE INDUSTRY CO L (CN) 2000-10-11 CN disclosed
CN-1264714-A Process for preparing atactic copolymer of conjugated diene and monovinyl arylhydrocarbon RES INST OF YANSHAN PETRO CHEM (CN) 2000-08-30 CN disclosed
CN-1216049-A Process for producing vinyl polymer, vinyl monomer polymerization initiator and styrene resin composition ASAHI CHEMICAL IND (JP) 1999-05-05 CN disclosed