SCHEMBL4493111

SCHEMBL4493111

[Na+].[S-]S

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 SCHEMBL4484077 0.75
SCHEMBL3752290 0.58
SCHEMBL7108937 0.50
SCHEMBL11114595 0.50
SCHEMBL31124514 0.50
SCHEMBL2359540 0.50
SCHEMBL17537241 0.50
SCHEMBL11138911 0.50 CA1 (0.50)
SCHEMBL9697682 0.50
Hydrogen Sulfide SCHEMBL9806041 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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108601353-B Bactericidal composition 高文作物保护公司 2024-04-05 CN disclosed
CN-115729387-A Touch sensor film 富士胶片株式会社 2023-03-03 CN disclosed
US-7528266-B2 Chemical intermediates of byproduct-free 7-thio-3H-isobenzofuran-1-one derivatives and herbicidal 7-[(4,6-dimethoxy-pyrimidin-2-yl)thio]-3-methyl-3H-isobenzo-furan-1-one SYNGENTA CROP PROTECTION, INC. (US) 2009-05-05 US disclosed
US-20080108813-A1 PROCESS FOR THE PREPARATION OF 7-SUBSTITUTED 3-ALKYL-3H-ISOBENZOFURAN-1-ONE DERIVATIVES SYNGENTA CROP PROTECTION, INC. (US) 2008-05-08 US disclosed
US-20080097111-A1 PROCESS FOR THE PREPARATION OF 7-SUBSTITUTED 3-ALKYL-3H-ISOBENZOFURAN-1-ONE DERIVATIVES SYNGENTA CROP PROTECTION, INC. (US) 2008-04-24 US disclosed
US-7307175-B2 Process for the preparation of 7-substituted 3-alkyl-3H-isobenzofuran-1-one derivatives SYNGENTA CROP PROTECTION, INC. (US) 2007-12-11 US disclosed
US-20040158080-A1 Process for the preparation of 7-substituted 3-alkyl-3h-isobenzofuran-1-one derivatives SYNGENTA CROP PROTECTION, INC. 2004-08-12 US disclosed
EP-1390339-A2 PROCESS FOR THE PREPARATION OF 7-SUBSTITUTED 3-ALKYL-3H-ISOBENZOFURAN-1-ONE DERIVATIVES Syngenta Participations AG (CH) 2004-02-25 EP disclosed
WO-2002094760-A2 PROCESS FOR THE PREPARATION OF 7-SUBSTITUTED 3-ALKYL-3H-ISOBENZOFURAN-1-ONE DERIVATIVES SYNGENTA PARTICIPATIONS AG (CH) 2002-11-28 WO disclosed