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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL7039746 | 0.97 | — | — | |
| SCHEMBL9360 | 0.96 | — | — | |
| SCHEMBL9362 | 0.96 | — | — | |
| SCHEMBL1965919 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL277848 | 0.93 | — | — | |
| SCHEMBL4149569 | 0.93 | — | — | |
| Hydrochloric Acid SCHEMBL3433151 | 0.90 | TSHR (0.38) | — | |
| Hydroxyamine SCHEMBL17187300 | 0.90 | — | — | |
| SCHEMBL10629515 | 0.87 | — | — | |
| SCHEMBL15466682 | 0.87 | — | — |
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 156 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118146486-A | Polyisocyanate composition containing isocyanurate structure with low color number, and preparation method and application thereof | 万华化学集团股份有限公司 | 2024-06-07 | — | — | CN | claimed |
| EP-3169765-B1 | CLEANING COMPOSITION FOLLOWING CMP AND METHODS RELATED THERETO | CABOT MICROELECTRONICS CORP (US) | 2020-08-19 | — | — | EP | claimed |
| US-10100272-B2 | Cleaning composition following CMP and methods related thereto | CABOT MICROELECTRONICS CORPORATION (US) | 2018-10-16 | — | — | US | claimed |
| US-20170158992-A1 | CLEANING COMPOSITION FOLLOWING CMP AND METHODS RELATED THERETO | CMC MATERIALS LLC | 2017-06-08 | — | — | US | claimed |
| EP-3169765-A1 | CLEANING COMPOSITION FOLLOWING CMP AND METHODS RELATED THERETO | Cabot Microelectronics Corporation (US) | 2017-05-24 | — | — | EP | claimed |
| WO-2016069576-A1 | NON-AMINE POST-CMP COMPOSITIONS AND METHOD OF USE | ENTEGRIS, INC. (US) | 2016-05-06 | — | — | WO | claimed |
| WO-2016011331-A1 | CLEANING COMPOSITION FOLLOWING CMP AND METHODS RELATED THERETO | CABOT MICROELECTRONICS CORPORATION (US) | 2016-01-21 | — | — | WO | claimed |
| US-4288586-A | TRIMERIZATION OF ISOPHORONE DIISOCYANATE, QUATERNARY HYDROXYALKYL AMMONIUM HYDROXIDE CATALYST | BAYER AKTIENGESELLSCHAFT (DE) | 1981-09-08 | — | — | US | claimed |
| EP-0003765-B1 | PROCESS FOR THE PREPARATION OF ISOCYANURATE GROUPS BEARING POLYISOCYANATES BASED ON 1-ISOCYANATO-3,3,5-TRIMETHYL-5-ISOCYANATOMETHYLCYCLOHEXANE AND THEIR USE AS ISOCYANATE COMPONENT IN POLYURETHANE LACQUERS | BAYER AG (DE) | 1981-02-11 | — | — | EP | claimed |
| CN-114644749-B | Polyisocyanate composition, aqueous coating composition and coated substrate | 旭化成株式会社 | 2024-07-02 | — | — | CN | disclosed |
| CN-118255941-A | Photopolymerizable composition for 3D printer comprising polymerizable monomer having allophanate bond | 株式会社松风 | 2024-06-28 | — | — | CN | disclosed |
| EP-3085718-B1 | SILOXANE GROUPS CONTAINING POLYISOCYANURATE PLASTIC AND METHOD FOR PRODUCING THE SAME | COVESTRO DEUTSCHLAND AG (DE) | 2024-04-17 | — | — | EP | disclosed |
| EP-3743449-B1 | SEMI-FINISHED PRODUCTS BASED ON DUAL CROSS-LINKING MECHANISM | COVESTRO DEUTSCHLAND AG (DE) | 2024-04-17 | — | — | EP | disclosed |
| EP-4314102-A1 | POLYISOCYANURATE-PREPREGS AND FIBER COMPOSITE COMPONENTS PRODUCED THEREFROM | Covestro Deutschland AG (DE) | 2024-02-07 | — | — | EP | disclosed |
| US-6090897-A | COMPRISES A CARBOXYL GROUP-CONTAINING POLYMER AND AN OXAZOLINE GROUP-CONTAINING POLYMER, AND IS CHARACTERIZED IN THAT THE CARBOXYL GROUP-CONTAINING POLYMER CONTAINS PRIMARY AND/OR SECONDARY AMINO GROUPS. | NIPPON SHOKUBAI CO., LTD. (JP) | 2000-07-18 | — | — | US | disclosed |
| EP-0846731-A2 | Curable resin composition, adhesive and laminate thereof | NIPPON SHOKUBAI CO., LTD. (JP) | 1998-06-10 | — | — | EP | disclosed |
| US-5756267-A | QUATERNARY AMMONIUM BASES WITH SURFACTANTS TO DEVELOP SHARP IMAGES | FUJI PHOTO FILM CO., LTD. (JP) | 1998-05-26 | — | — | US | disclosed |
| US-5489663-A | TRIMERIZING ALIPHATIC AND/OR CYCLOALIPHATIC DIISOCYANATES USING TETRAALKYLAMMONIUM ALKYL CARBONATE OR MIXTURES WITH QUATERNARY AMMONIOALKYL CARBONATE CATALYSTS, DEACTIVATING CATALYST | BASF AKTIENGESELLSCHAFT (DE) | 1996-02-06 | — | — | US | disclosed |
| US-4552946-A | Process for the production of polyisocyanates containing isocyanurate groups, the compounds which may be obtained according to this process, and the use thereof for the production of polyurethanes | BAYER AKTIENGESELLSCHAFT (DE) | 1985-11-12 | — | — | US | disclosed |
| EP-0003765-B1 | PROCESS FOR THE PREPARATION OF ISOCYANURATE GROUPS BEARING POLYISOCYANATES BASED ON 1-ISOCYANATO-3,3,5-TRIMETHYL-5-ISOCYANATOMETHYLCYCLOHEXANE AND THEIR USE AS ISOCYANATE COMPONENT IN POLYURETHANE LACQUERS | BAYER AG (DE) | 1981-02-11 | — | — | EP | disclosed |