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 | |
|---|---|---|---|---|
| Water SCHEMBL338088 | 1.00 | CA1 (0.38) | — | |
| Water SCHEMBL339645 | 1.00 | — | — | |
| SCHEMBL38276 | 0.87 | — | — | |
| Potassium Ion SCHEMBL728870 | 0.75 | — | — | |
| Methane SCHEMBL11231315 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL7213338 | 0.75 | — | — | |
| SCHEMBL5962528 | 0.75 | — | — | |
| SCHEMBL11582514 | 0.75 | — | — | |
| Water SCHEMBL9639866 | 0.75 | — | — | |
| Water SCHEMBL17049359 | 0.75 | — | — |
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.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7112314-B2 | Contacting organic acyl halide and peroxide complex in compatible aprotic solvent substantially free of compounds oxidizable by the peroxide complex or by products of the reaction of organic acid halide with peroxide complex, collecting diacyl peroxide solution; initating polymerization of olefin monomer | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2006-09-26 | — | — | US | disclosed |
| CN-1239481-C | Synthetising diacid peroxidation compound in aprotic solvent | DU PONT (US) | 2006-02-01 | — | — | CN | disclosed |
| EP-1164130-B1 | Synthesis of diacyl peroxide in aprotic solvent | DU PONT (US) | 2005-01-26 | — | — | EP | disclosed |
| US-20040213723-A1 | Contacting organic acyl halide and peroxide complex in compatible aprotic solvent substantially free of compounds oxidizable by the peroxide complex or by products of the reaction of organic acid halide with peroxide complex, collecting diacyl peroxide solution; initating polymerization of olefin monomer | BROTHERS PAUL DOUGLAS (US) | 2004-10-28 | — | — | US | disclosed |
| CN-1342647-A | Synthetising diacid peroxidation compound in aprotic solvent | DU PONT (US) | 2002-04-03 | — | — | CN | disclosed |
| US-20020026011-A1 | Contacting organic acyl halide and peroxide complex in compatible aprotic solvent substantially free of compounds oxidizable by the peroxide complex or by products of the reaction of organic acid halide with peroxide complex. | E. I. DU PONT DE NEMOURS AND COMPANY | 2002-02-28 | — | — | US | disclosed |
| EP-1164130-A2 | Synthesis of diacyl peroxide in aprotic solvent | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 2001-12-19 | — | — | EP | disclosed |
| CN-1045310-C | Detergent compositions | UNILEVER NV (NL) | 1999-09-29 | — | — | CN | disclosed |
| CN-1074705-A | Detergent composition | UNILEVER NV (NL) | 1993-07-28 | — | — | CN | disclosed |