SCHEMBL1979845

SCHEMBL1979845

O=C([O-])/C=C\Cl.[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
SCHEMBL11214696 1.00
SCHEMBL11214697 1.00
Silver SCHEMBL11454338 0.93
SCHEMBL6913926 0.93 CA1 (0.36)
SCHEMBL6913104 0.93 CA1 (0.36)
SCHEMBL6918408 0.93 CA1 (0.36)
SCHEMBL6918707 0.93 CA1 (0.36)
Silver SCHEMBL11454339 0.93
SCHEMBL6917064 0.93
SCHEMBL6917066 0.93

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011080044-A2 ACTIVE COMPOUND COMBINATIONS BAYER CROPSCIENCE AG (DE) 2011-07-07 WO claimed
US-20110152077-A1 Active compound combinations BAYER CROPSCIENCE AG (DE) 2011-06-23 US claimed
US-20240188560-A1 STABLE EMULSIONS ADAMA AGAN LTD. (IL) 2024-06-13 US disclosed
WO-2022208501-A1 STABLE EMULSIONS ADAMA AGAN LTD. (IL) 2022-10-06 WO disclosed
EP-4066639-A1 STABLE EMULSIONS Adama Agan Ltd. (IL) 2022-10-05 EP disclosed
EP-4066638-A1 STABLE EMULSIONS Adama Agan Ltd. (IL) 2022-10-05 EP disclosed
CN-109310090-A Kill pest composition 先正达参股股份有限公司 2019-02-05 CN disclosed
WO-2011137998-A1 BRASSICA PLANTS WITH ALTERED ARCHITECTURE BAYER BIOSCIENCE N.V. (BE) 2011-11-10 WO disclosed
WO-2011080044-A2 ACTIVE COMPOUND COMBINATIONS BAYER CROPSCIENCE AG (DE) 2011-07-07 WO disclosed
US-20110152077-A1 Active compound combinations BAYER CROPSCIENCE AG (DE) 2011-06-23 US disclosed
US-4333759-A Herbicidal 5-cyano-2,3-dihydro-benzofuran-2-ones FISONS LIMITED (GB) 1982-06-08 US disclosed
US-4263037-A 5-Cyano-2,3-dihydrobenzofurans useful as herbicides FISONS LIMITED (GB) 1981-04-21 US disclosed
US-4222767-A Certain herbicidal sulfonates and sulfamates FISONS LIMITED (GB) 1980-09-16 US disclosed
EP-0007719-A2 Cyanbenzofuran derivatives, processes for their preparation and their use in herbicidal compositions; cyanobenzene, benzodioxepine, benzodioxaphosphepine and benzodioxathiepine derivatives FBC LIMITED (GB) 1980-02-06 EP disclosed
US-4183741-A POSTEMERGENCE FISONS LIMITED (GB) 1980-01-15 US disclosed
US-4163846-A HERBICIDES FISONS LIMITED (GB) 1979-08-07 US disclosed
US-4162154-A BENZOFURAN DERIVATIVES FISONS LIMITED (GB) 1979-07-24 US disclosed