SCHEMBL125655

SCHEMBL125655

CC(C)CCC(=O)[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
SCHEMBL1330920 1.00
SCHEMBL11595741 0.94 CA1 (0.94)
SCHEMBL8386161 0.94 CA1 (0.94)
Silver SCHEMBL28378946 0.94
Potassium Ion SCHEMBL11596072 0.94
Lithium Ion SCHEMBL11596365 0.94
SCHEMBL8386160 0.94 CA1 (0.94)
SCHEMBL11597405 0.94
SCHEMBL11120607 0.94 CA1 (0.94)
SCHEMBL8741780 0.94 CA1 (0.94)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118994542-A Degradable polyester for preparing non-woven fabric, and preparation method and application thereof 山东道恩降解材料有限公司 2024-11-22 CN claimed
CN-118854459-A High nickel-base single crystal positive electrode precursor, positive electrode material, preparation method of positive electrode material, positive electrode and battery 广东邦普循环科技有限公司 2024-10-29 CN claimed
CN-118344715-A Low-energy-consumption high-performance biodegradable plastic uptake product and preparation method thereof 马迪格瑞(上海)材料技术有限公司 2024-07-16 CN claimed
CN-118056866-A Polyolefin film material, polyolefin film and polyolefin aluminized film 中国石油化工股份有限公司 2024-05-21 CN claimed
CN-117866404-A Preparation method of halogen-free flame-retardant PC/ABS/PET material 东莞市国亨塑胶科技有限公司 2024-04-12 CN claimed
CN-116981283-A Light emitting device, method of manufacturing the same, and display apparatus TCL科技集团股份有限公司 2023-10-31 CN claimed
CN-116925475-A Low-carbon polystyrene blend GPO (gigabit-capable-oriented-film) foam material and preparation method thereof 安徽乾泰新材料股份有限公司 2023-10-24 CN claimed
WO-2023197658-A1 LIGHT-EMITTING DEVICE, PREPARATION METHOD FOR LIGHT-EMITTING DEVICE, AND DISPLAY APPARATUS TCL科技集团股份有限公司 2023-10-19 WO claimed
CN-115637009-A Modified expandable polystyrene blended GPO (general purpose polystyrene) foam material and preparation method thereof 安徽乾泰新材料股份有限公司 2023-01-24 CN claimed
CN-110818854-B Polycarboxylate superplasticizer powder and preparation method thereof 惠州学院 2022-12-30 CN claimed
EP-0760108-B1 POLYPROPYLENE-POLYETHYLENE COPOLYMER BUFFER TUBE FOR AN OPTICAL FIBER CABLE, METHOD FOR MAKING SUCH BUFFER TUBE, AND OPTICAL CABLE PROVIDED WITH SUCH BUFFER TUBE CIT ALCATEL (FR) 2001-09-05 EP claimed
US-6210802-B1 COMPRISING AN ELONGATED ROD EXTRUDED FROM A POLYPROPYLENE-POLYETHYLENE COPOLYMER RESIN MATERIAL FOAMED DURING EXTRUSION SO AS TO HAVE A PLURALITY OF VOID SPACES THEREIN AND A RELATIVE DENSITY WHICH IS LESS THAN 1 ALCATEL (FR) 2001-04-03 US claimed
EP-1063550-A1 Polypropylene-polyethylene copolymer buffer tubes for optical fiber cables and method for making the same Alcatel NA Cable Systems, Inc. (US) 2000-12-27 EP claimed
US-6110251-A WITH POLYMER, NUCLEATING AGENT AND ELECTROSTATIC CHARGING ENHANCER JOHNS MANVILLE INTERNATIONAL, INC. (US) 2000-08-29 US claimed
US-6066397-A ELONGATED FILLER ROD EXTRUDED FROM AN PROPYLENE-ETHYLENE COPOLYMER FOAMED DURING EXTRUSION TO HAVE VOID SPACES AND A RELATIVE DENSITY &lt;1; A JACKET CONFINING THE BUFFER TUBE, THE FIBER AND ROD; SHRINKAGE INHIBITION; ANTISTICKING AGENTS ALCATEL (FR) 2000-05-23 US claimed
EP-0947868-A2 Polypropylene filler rods for optical fiber communications cables ALCATEL (FR) 1999-10-06 EP claimed
US-5761362-A HIGH STRENGTH, LOW SHRINKAGE, GOOD FLEXIBILITY AND IMPROVED PROCESSIBILITY ALCATEL NA CABLE SYSTEMS, INC. (US) 1998-06-02 US claimed
EP-0760108-A1 POLYPROPYLENE-POLYETHYLENE COPOLYMER BUFFER TUBES FOR OPTICAL FIBER CABLES AND METHOD FOR MAKING THE SAME Alcatel NA Cable Systems, Inc. (US) 1997-03-05 EP claimed
US-5574816-A NUCLEATION AGENT ALCATEL NA CABLE SYTEMS, INC. (US) 1996-11-12 US claimed
WO-1996023239-A2 POLYPROPYLENE-POLYETHYLENE COPOLYMER BUFFER TUBES FOR OPTICAL FIBER CABLES AND METHOD FOR MAKING THE SAME ALCATEL NA CABLE SYSTEMS, INC. (US) 1996-08-01 WO claimed