Known targets — ChEMBL curated mechanism
ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO
The experimentally established mechanism targets of Water. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL891416 | 0.95 | — | — | |
| SCHEMBL29120955 | 0.91 | — | — | |
| Water SCHEMBL19837771 | 0.78 | — | — | |
| SCHEMBL800702 | 0.72 | — | — | |
| SCHEMBL18107112 | 0.72 | — | — | |
| SCHEMBL25362966 | 0.72 | — | — | |
| SCHEMBL7942078 | 0.72 | — | — | |
| SCHEMBL71391 | 0.72 | — | — | |
| SCHEMBL1059263 | 0.70 | LMNA (0.32) | — | |
| SCHEMBL9008685 | 0.70 | — | — |
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 56 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023166485-A1 | FUNGICIDAL COMBINATIONS, MIXTURES AND COMPOSITIONS AND USES THEREOF | ADAMA MAKHTESHIM LTD. (IL) | 2023-09-07 | — | — | WO | disclosed |
| CN-114931141-A | Synergistic fungicidal mixtures for controlling fungi in cereals | 阿达玛马克西姆股份有限公司 | 2022-08-23 | — | — | CN | disclosed |
| CN-114794123-A | Synergistic fungicidal mixtures for controlling fungi in cereals | 阿达玛马克西姆股份有限公司 | 2022-07-29 | — | — | CN | disclosed |
| EP-3989723-A1 | MELANOIDIN COMPOSITIONS FOR PROTECTING CROPS FROM NONFUNGAL PESTS | The State of Israel, Ministry of Agriculture and Rural Development, Agricultural Research Organization (ARO) (Volcani Center) (IL) | 2022-05-04 | — | — | EP | disclosed |
| CN-113613497-A | Colloidal silver-based compositions and methods for their use in the prevention and control of plant diseases | 克里尔利夫公司 | 2021-11-05 | — | — | CN | disclosed |
| WO-2020261273-A1 | MELANOIDIN COMPOSITIONS FOR PROTECTING CROPS FROM NONFUNGAL PESTS | THE STATE OF ISRAEL, MINISTRY OF AGRICULTURE & RURAL DEVELOPMENT, AGRICULTURAL RESEARCH ORGANIZATION (ARO) (VOLCANI CENTER) (IL) | 2020-12-30 | — | — | WO | disclosed |
| CN-110769691-A | Synergistic mixtures for fungal control in cereals | 陶氏益农公司 | 2020-02-07 | — | — | CN | disclosed |
| EP-3544432-A1 | USE OF A DIFLUORO-(2-HYDROXYPROPYL)PYRIDINE COMPOUND AS A FUNGICIDE FOR CONTROL OF LEAF SPOT OF SUGAR BEETS | Dow AgroSciences LLC (US) | 2019-10-02 | — | — | EP | disclosed |
| WO-2018098237-A1 | USE OF A DIFLUORO-(2-HYDROXYPROPYL)PYRIDINE COMPOUND AS A FUNGICIDE FOR CONTROL OF LEAF SPOT OF SUGAR BEETS | VPS-3, INC. (US) | 2018-05-31 | — | — | WO | disclosed |
| EP-3240419-A1 | PICOLINAMIDE COMPOUNDS WITH FUNGICIDAL ACTIVITY | Dow Agrosciences LLC (US) | 2017-11-08 | — | — | EP | disclosed |
| EP-2043436-A1 | A METHOD TO CONTROL INSECTS RESISTANT TO COMMON INSECTICIDES | Dow AgroSciences LLC (US) | 2009-04-08 | — | — | EP | disclosed |
| WO-2008057130-A1 | USE OF N-SUBSTITUTED SULFOXIMINES FOR CONTROL OF INVERTEBRATE PESTS | DOW AGROSCIENCES LLC (US) | 2008-05-15 | — | — | WO | disclosed |
| WO-2008057131-A1 | HETEROARYL (SUBSTITUTED) ALKYL N-SUBSTITUTED SULFOXIMINES AS INSECTICIDES | DOW AGROSCIENCES LLC (US) | 2008-05-15 | — | — | WO | disclosed |
| WO-2008030266-A2 | INSECTICIDAL N-SUBSTITUTED (HETEROARYL)ALKYL SULFILMINES | DOW AGROSCIENCES LLC (US) | 2008-03-13 | — | — | WO | disclosed |
| WO-2008027073-A1 | INSECTICIDAL N-SUBSTITUTED (HETEROARYL)CYCLOALKYL SULFOXIMINES | DOW AGROSCIENCES LLC (US) | 2008-03-06 | — | — | WO | disclosed |
| EP-1881966-A2 | SUBSTITUTED 4,5-DIHYDRO-1,2,4-TRIAZIN-6-ONES, 1,2,4-TRIANZIN-6-ONES, AND THEIR USE AS FUNGICIDES | Dow AgroSciences LLC (US) | 2008-01-30 | — | — | EP | disclosed |
| WO-2007149134-A1 | A METHOD TO CONTROL INSECTS RESISTANT TO COMMON INSECTICIDES | DOW AGROSCIENCES LLC (US) | 2007-12-27 | — | — | WO | disclosed |
| EP-1830641-A1 | ISOMERIC MIXTURES OF DINITRO-OCTYLPHENYL ESTERS AND SYNERGISTIC FUNGICIDAL MIXTURES THEREFROM | Dow AgroSciences LLC (US) | 2007-09-12 | — | — | EP | disclosed |
| WO-2006119400-A2 | SUBSTITUTED 4,5-DIHYDRO-1,2,4-TRIAZIN-6-ONES, 1,2,4-TRIANZIN-6-ONES, AND THEIR USE AS FUNGICIDES | DOW AGROSCIENCES LLC (US) | 2006-11-09 | — | — | WO | disclosed |
| WO-2006044460-A1 | ISOMERIC MIXTURES OF DINITRO-OCTYLPHENYL ESTERS AND SYNERGISTIC FUNGICIDAL MIXTURES THEREFROM | DOW AGROSCIENCES LLC (US) | 2006-04-27 | — | — | WO | disclosed |