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 | |
|---|---|---|---|---|
| SCHEMBL59611 | 0.96 | — | — | |
| Sulfurous Acid SCHEMBL11527320 | 0.82 | ALDH1A1 (0.44) | — | |
| Benzoquinone SCHEMBL10610820 | 0.80 | ALDH1A1 (0.89) | — | |
| Benzoquinone SCHEMBL3656695 | 0.80 | ALDH1A1 (0.89) | — | |
| Naphthalene SCHEMBL6910660 | 0.80 | MAOA (0.42) | — | |
| Benzoquinone SCHEMBL28240806 | 0.76 | — | — | |
| SCHEMBL148004 | 0.76 | — | — | |
| Benzoquinone SCHEMBL18103 | 0.76 | — | — | |
| Benzoquinone SCHEMBL30679171 | 0.76 | — | — | |
| Benzoquinone SCHEMBL10506648 | 0.76 | ALDH1A1 (1.00) | — |
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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1326943-B1 | C-NITROSOANILINE COMPOUNDS AND THEIR BLENDS AS POLYMERIZATION INHIBITORS | UNIROYAL CHEM CO INC (US) | 2006-01-25 | — | — | EP | claimed |
| US-20040104146-A1 | C-nitrosoaniline compounds and their blends as polymerization inhibitors | UNIROYAL CHEMICAL COMPANY, INC. | 2004-06-03 | — | — | US | claimed |
| US-20040106753-A1 | C-nitrosoaniline compounds and their blends as polymerization inhibitors | UNIROYAL CHEMICAL COMPANY, INC. | 2004-06-03 | — | — | US | claimed |
| US-20040089586-A1 | C-nitrosoaniline compounds and their blends as polymerization inhibitors | UNIROYAL CHEMICAL COMPANY, INC. | 2004-05-13 | — | — | US | claimed |
| EP-1326943-A2 | C-NITROSOANILINE COMPOUNDS AND THEIR BLENDS AS POLYMERIZATION INHIBITORS | Uniroyal Chemical Company, Inc. (US) | 2003-07-16 | — | — | EP | claimed |
| US-20030047439-A1 | C-nitrosoaniline compounds and their blends as polymerization inhibitors | ADDIVANT USA, LLC | 2003-03-13 | — | — | US | claimed |
| WO-2002033025-A2 | C-NITROSOANILINE COMPOUNDS AND THEIR BLENDS AS POLYMERIZATION INHIBITORS | UNIROYAL CHEMICAL COMPANY, INC. (US) | 2002-04-25 | — | — | WO | claimed |
| US-8809431-B2 | Process for stabilizing olefinically unsaturated monomers | EVONIK DEGUSSA GMBH (DE) | 2014-08-19 | — | — | US | disclosed |
| US-20120101295-A1 | PROCESS FOR STABILIZING OLEFINICALLY UNSATURATED MONOMERS | EVONIK DEGUSSA GMBH (DE) | 2012-04-26 | — | — | US | disclosed |
| US-8128804-B2 | Process for stabilizing olefinically unsaturated monomers | EVONIK DEGUSSA GMBH (DE) | 2012-03-06 | — | — | US | disclosed |
| US-20090114878-A1 | PROCESS FOR STABILIZING OLEFINICALLY UNSATURATED MONOMERS | EVONIK DEGUSSA GMBH (DE) | 2009-05-07 | — | — | US | disclosed |
| US-7022220-B2 | C-nitrosoaniline compounds and their blends as polymerization inhibitors | UNIROYAL CHEMICAL COMPANY, INC. (US) | 2006-04-04 | — | — | US | disclosed |
| EP-1326943-B1 | C-NITROSOANILINE COMPOUNDS AND THEIR BLENDS AS POLYMERIZATION INHIBITORS | UNIROYAL CHEM CO INC (US) | 2006-01-25 | — | — | EP | disclosed |
| US-20040104146-A1 | C-nitrosoaniline compounds and their blends as polymerization inhibitors | UNIROYAL CHEMICAL COMPANY, INC. | 2004-06-03 | — | — | US | disclosed |
| US-20040106753-A1 | C-nitrosoaniline compounds and their blends as polymerization inhibitors | UNIROYAL CHEMICAL COMPANY, INC. | 2004-06-03 | — | — | US | disclosed |
| US-20040089586-A1 | C-nitrosoaniline compounds and their blends as polymerization inhibitors | UNIROYAL CHEMICAL COMPANY, INC. | 2004-05-13 | — | — | US | disclosed |
| US-6685823-B2 | INHIBITING THE PREMATURE POLYMERIZATION OF ETHYLENICALLY UNSATURATED MONOMERS BY ADDING COMPOUNDS SELECTED FROM C-NITROSOANILINE AND QUINONE IMINE OXIME COMPOUNDS | UNIROYAL CHEMICAL COMPANY, INC. | 2004-02-03 | — | — | US | disclosed |
| EP-1326943-A2 | C-NITROSOANILINE COMPOUNDS AND THEIR BLENDS AS POLYMERIZATION INHIBITORS | Uniroyal Chemical Company, Inc. (US) | 2003-07-16 | — | — | EP | disclosed |
| US-20030047439-A1 | C-nitrosoaniline compounds and their blends as polymerization inhibitors | ADDIVANT USA, LLC | 2003-03-13 | — | — | US | disclosed |
| WO-2002033025-A2 | C-NITROSOANILINE COMPOUNDS AND THEIR BLENDS AS POLYMERIZATION INHIBITORS | UNIROYAL CHEMICAL COMPANY, INC. (US) | 2002-04-25 | — | — | WO | disclosed |