SCHEMBL1450842

SCHEMBL1450842

Fc1c(F)c(F)c([B-](O[Si](c2ccccc2)(c2ccccc2)c2ccccc2)(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F.[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
SCHEMBL985249 0.98
Lithium Ion SCHEMBL1450620 0.96
SCHEMBL27554642 0.69 ALDH1A1 (0.35)
SCHEMBL1451098 0.61 ALDH1A1 (0.32)
SCHEMBL7727762 0.61 TSHR (0.35)
SCHEMBL335769 0.61 TSHR (0.35)
SCHEMBL7686146 0.60 TSHR (0.35)
SCHEMBL29573169 0.59 ESR1 (0.33)
Iodide SCHEMBL8897376 0.59 ESR1 (0.33)
SCHEMBL6979135 0.58 XDH (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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4612126-A1 COMPOSITIONS INCLUDING A MIXTURE OF ISOMERS OF ITACONIMIDE NORBORNENE AND CITRACONIMIDE NORBORNENE 3M Innovative Properties Company (US) 2025-09-10 EP disclosed
US-20240279251-A1 Monomer, Polymerizable Composition, and Polymers Derived Therefrom 3M INNOVATIVE PROPERTIES COMPANY 2024-08-22 US disclosed
WO-2024095078-A1 COMPOSITIONS INCLUDING A MIXTURE OF ISOMERS OF ITACONIMIDE NORBORNENE AND CITRACONIMIDE NORBORNENE 3M INNOVATIVE PROPERTIES COMPANY (US) 2024-05-10 WO disclosed
US-20240002586-A1 CURABLE COMPOSITIONS, COMPOSITE FOAM, METHOD OF MAKING THE SAME, AND ARTICLE INCLUDING THE SAME 3M INNOVATIVE PROPERTIES COMPANY 2024-01-04 US disclosed
WO-2022238774-A1 MONOMER, POLYMERIZABLE COMPOSITION, AND POLYMERS DERIVED THEREFROM 3M INNOVATIVE PROPERTIES COMPANY (US) 2022-11-17 WO disclosed
WO-2022118175-A1 CURABLE COMPOSITIONS, COMPOSITE FOAM, METHOD OF MAKING THE SAME, AND ARTICLE INCLUDING THE SAME 3M INNOVATIVE PROPERTIES COMPANY (US) 2022-06-09 WO disclosed
US-7910674-B2 Especially a copolymer of norbornene and/or alkylnorbornene and (trialkoxysilylalkyl)norbornene; optical articles such as ophthalmic lenses, wave guides, optical fibers, and optical adhesives PROMERUS, LLC (US) 2011-03-22 US disclosed