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 SCHEMBL28766473 | 1.00 | — | — | |
| Water SCHEMBL11169370 | 0.96 | DNM1 (0.93) | — | |
| Water SCHEMBL9818050 | 0.96 | DNM1 (0.93) | — | |
| Water SCHEMBL7520503 | 0.96 | DNM1 (0.93) | — | |
| Hexadecylamine SCHEMBL2426260 | 0.96 | DNM1 (0.93) | — | |
| Octadecylamine SCHEMBL1785756 | 0.96 | DNM1 (0.93) | — | |
| Tetradecylamine SCHEMBL238830 | 0.96 | DNM1 (0.93) | — | |
| Octadecylamine SCHEMBL5274088 | 0.96 | DNM1 (0.93) | — | |
| Dodecylamine SCHEMBL7359051 | 0.96 | DNM1 (0.93) | — | |
| Pentadecylamine SCHEMBL356048 | 0.96 | DNM1 (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 415 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116022813-A | Y-type molecular sieve and synthesis method and application thereof | 中国石油化工股份有限公司 | 2023-04-28 | — | — | CN | claimed |
| EP-4031598-A1 | COATING COMPOSITIONS AND METHODS WITH POLYFUNCTIONAL CARBAMATE SALT | Swimc LLC (US) | 2022-07-27 | — | — | EP | claimed |
| CN-112591760-B | SSZ-16 molecular sieve with new morphology synthesized by Y molecular sieve crystal transformation and method thereof | 金华职业技术学院 | 2022-06-17 | — | — | CN | claimed |
| WO-2021055195-A1 | COATING COMPOSITIONS AND METHODS WITH POLYFUNCTIONAL CARBAMATE SALT | SWIMC LLC (US) | 2021-03-25 | — | — | WO | claimed |
| US-10822524-B2 | Aqueous compositions of low dishing silica particles for polysilicon polishing | ROHM AND HAAS ELECTRONIC MATERIALS CMP HOLDINGS, I (US) | 2020-11-03 | — | — | US | claimed |
| EP-3347330-B1 | IMPROVED UREA AMMONIUM SULPHATE-BASED COMPOSITION AND METHOD FOR THE MANUFACTURE THEREOF | YARA INT ASA (NO) | 2020-08-19 | — | — | EP | claimed |
| CN-110483225-A | A kind of water phase Suzuki cross-coupling reaction of the palladium chtalyst without additional ligand | UNIV SHAANXI NORMAL | 2019-11-22 | — | — | CN | claimed |
| US-20190185714-A1 | AQUEOUS COMPOSITIONS OF LOW DISHING SILICA PARTICLES FOR POLYSILICON POLISHING | ROHM AND HAAS ELECTRONIC MATERIALS CMP HOLDINGS, INC. | 2019-06-20 | — | — | US | claimed |
| CN-109679739-A | A kind of lubricating grease and preparation method thereof | 中国石油化工股份有限公司 | 2019-04-26 | — | — | CN | claimed |
| CN-105820022-B | A kind of hydrocarbon dehydrogenation reaction method | 中国石油化工股份有限公司 | 2019-03-08 | — | — | CN | claimed |
| CN-101578556-A | Stripper for coating layer | AZ ELECTRONIC MATERIALS USA (US) | 2009-11-11 | — | — | CN | claimed |
| WO-2009089076-A2 | PROCESSES FOR THE PREPARATION AND PURIFICATION OF PALIPERIDONE PALMITATE | TEVA PHARMACEUTICAL INDUSTRIES LTD. (IL) | 2009-07-16 | — | — | WO | claimed |
| CN-101293950-A | Low-temperature-curable polyurethane compositions with uretdione groups, containing polymers based on polyols that carry secondary oh groups | DEGUSSA (DE) | 2008-10-29 | — | — | CN | claimed |
| WO-2008081416-A2 | STRIPPER FOR COATING LAYER | AZ ELECTRONIC MATERIALS USA CORP. (DE) | 2008-07-10 | — | — | WO | claimed |
| US-20080161217-A1 | Stripper for Coating Layer | MERCK PATENT GMBH (DE) | 2008-07-03 | — | — | US | claimed |
| EP-1937738-A1 | ONE-COMPONENT POLYURETHANE SYSTEMS THAT ARE DEVOID OF METAL | Evonik Degussa GmbH (DE) | 2008-07-02 | — | — | EP | claimed |
| EP-1844084-A1 | HIGHLY REACTIVE URETDIONE GROUP-CONTAINING POLYURETHANE COMPOSITIONS BASED ON 1,4-DIISOCYANATO-DICYCLOHEXYL METHANE | Degussa GmbH (DE) | 2007-10-17 | — | — | EP | claimed |
| WO-2007045615-A1 | ONE-COMPONENT POLYURETHANE SYSTEMS THAT ARE DEVOID OF METAL | EVONIK DEGUSSA GMBH (DE) | 2007-04-26 | — | — | WO | claimed |
| CN-1930205-A | Method for producing solid highly-reactive polyurethane compositions containing uretdione groups | DEGUSSA (DE) | 2007-03-14 | — | — | CN | claimed |
| WO-2006069839-A1 | HIGHLY REACTIVE URETDIONE GROUP-CONTAINING POLYURETHANE COMPOSITIONS BASED ON 1,4-DIISOCYANATO-DICYCLOHEXYL METHANE | DEGUSSA GMBH (DE) | 2006-07-06 | — | — | WO | claimed |