SCHEMBL508199

SCHEMBL508199

O=C([O-])CC(F)(F)F.[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
Potassium Ion SCHEMBL5325780 0.94
Silver SCHEMBL1533990 0.94
Lithium Ion SCHEMBL655224 0.94
SCHEMBL4007241 0.94 CA4 (0.50)
SCHEMBL3172597 0.94 CA4 (0.50)
SCHEMBL28665122 0.81 CA4 (0.50)
SCHEMBL31111129 0.77
Citric Acid SCHEMBL11060179 0.73 CA4 (1.00)
Citric Acid SCHEMBL715802 0.73 CA4 (1.00)
SCHEMBL2392558 0.73 CA4 (0.36)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118685794-A One-step electrochemical preparation of isoxazolines 山东埃米森生物科技有限公司 2024-09-24 CN claimed
CN-110396057-B Method for preparing isocyanate with low chlorine content 万华化学集团股份有限公司 2022-02-18 CN claimed
CN-113659203-A Electrolyte containing composite additive and application thereof 哈尔滨工业大学 2021-11-16 CN claimed
EP-4657572-A1 COMPOSITION, ELECTROCHEMICAL DEVICE BINDER, ELECTRODE MIXTURE, ELECTRODE, AND SECONDARY BATTERY Daikin Industries, Ltd. (JP) 2025-12-03 EP disclosed
US-20250349897-A1 ELECTROLYTIC SOLUTION, AND ELECTROCHEMICAL DEVICE AND SECONDARY BATTERY USING SAME DAIKIN INDUSTRIES, LTD. (JP) 2025-11-13 US disclosed
US-12456760-B2 Non-aqueous electrolyte solution for sodium ion secondary battery, and sodium ion secondary battery MITSUBISHI CHEMICAL CORPORATION (JP) 2025-10-28 US disclosed
US-20250260063-A1 ELECTROLYTIC SOLUTION, ELECTROCHEMICAL DEVICE, SECONDARY BATTERY, AND LITHIUM-ION SECONDARY BATTERY DAIKIN INDUSTRIES, LTD. (JP) 2025-08-14 US disclosed
CN-120077502-A Electrolyte, electrochemical device, secondary battery, and lithium ion secondary battery 大金工业株式会社 2025-05-30 CN disclosed
CN-120051874-A Binder for positive electrode, electrode mixture, electrode, and secondary battery 大金工业株式会社 2025-05-27 CN disclosed
CN-118685794-A One-step electrochemical preparation of isoxazolines 山东埃米森生物科技有限公司 2024-09-24 CN disclosed
EP-4428981-A1 ELECTROLYTE, AND ELECTROCHEMICAL DEVICE AND SECONDARY BATTERY USING SAME Daikin Industries, Ltd. (JP) 2024-09-11 EP disclosed
EP-2479168-A1 6-Substituted 2,3,4,5-Tetrahydro-1H-Benzo [d]Azepines as 5-HT2C Receptor Agonists ELI LILLY AND COMPANY (US) 2012-07-25 EP disclosed
US-20120028961-A1 6 Substituted 2, 3,4,5 Tetrahydro-1H-Benzo[d]Azepines as 5-HT2c Receptor Agonist ELI LILLY AND COMPANY (US) 2012-02-02 US disclosed
US-8022062-B2 6-substituted 2,3,4,5-tetrahydro-1H-benzo[d]azepines as 5-HT2C receptor agonists ELI LILLY AND COMPANY (US) 2011-09-20 US disclosed
US-20090099155-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ARRAY BIOPHARMA, INC. 2009-04-16 US disclosed
WO-2007120714-A1 THERMALLY DEVELOPABLE MATERIALS WITH BURIED CONDUCTIVE BACKSIDE COATINGS EASTMAN KODAK COMPANY (US) 2007-10-25 WO disclosed
US-7258968-B1 Thermally developable materials with buried conductive backside coatings CARESTREAM HEALTH, INC. (US) 2007-08-21 US disclosed
EP-1720836-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO [D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2006-11-15 EP disclosed
WO-2005082859-A1 6-SUBSTITUTED 2,3,4,5-TETRAHYDRO-1H-BENZO[D]AZEPINES AS 5-HT2C RECEPTOR AGONISTS ELI LILLY AND COMPANY (US) 2005-09-09 WO disclosed
EP-0511152-A2 Quinoxaline compounds, their preparation and use NOVO NORDISK A/S (DK) 1992-10-28 EP disclosed