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 SCHEMBL6549361 | 0.93 | — | — | |
| Water SCHEMBL28213881 | 0.93 | — | — | |
| Water SCHEMBL26064 | 0.91 | — | — | |
| Water SCHEMBL8650554 | 0.91 | — | — | |
| Water SCHEMBL2535213 | 0.91 | — | — | |
| Water SCHEMBL8948105 | 0.91 | — | — | |
| Water SCHEMBL8169302 | 0.91 | — | — | |
| Water SCHEMBL6417891 | 0.91 | — | — | |
| SCHEMBL33397 | 0.91 | — | — | |
| Water SCHEMBL15140584 | 0.91 | — | — |
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 13 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112646368-B | Flame-retardant reinforced polyamide composite material and preparation method and application thereof | 聚石化学(苏州)有限公司 | 2022-12-20 | — | — | CN | disclosed |
| CN-112646367-B | Flame-retardant polyamide composite material and preparation method and application thereof | 聚石化学(苏州)有限公司 | 2022-12-20 | — | — | CN | disclosed |
| CN-114058009-A | Process for preparing semi-aromatic polyamides with reduced loss of diamine monomer, semi-aromatic polyamides and molding compositions | 山东广垠新材料有限公司 | 2022-02-18 | — | — | CN | disclosed |
| CN-106939125-B | Flame-resistant semi-aromatic polyamide moulding compositions | EMS 专利股份公司 | 2020-12-29 | — | — | CN | disclosed |
| CN-109679377-A | A kind of preparation method of depickling type silicone adhesive composite calcium carbonate | 安徽省宣城市华纳新材料科技有限公司 | 2019-04-26 | — | — | CN | disclosed |
| EP-1608610-B1 | PROCESS FOR THE HYDROGENATION OF ALKYLARYL KETONES | SHELL INT RESEARCH (NL) | 2013-04-03 | — | — | EP | disclosed |
| CN-101573418-A | Coating compositions exhibiting corrosion resistance properties, related coated substrates and methods | PPG IND OHIO INC (US) | 2009-11-04 | — | — | CN | disclosed |
| CN-100400486-C | Process for the hydrogenation of alkylaryl ketones | SHELL INT RESEARCH (NL) | 2008-07-09 | — | — | CN | disclosed |
| CN-1768023-A | Process for the hydrogenation of alkylaryl ketones | SHELL INT RESEARCH (NL) | 2006-05-03 | — | — | CN | disclosed |
| EP-1608610-A2 | PROCESS FOR THE HYDROGENATION OF ALKYLARYL KETONES | SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) | 2005-12-28 | — | — | EP | disclosed |
| US-6939996-B2 | contacting a feed of alkylaryl ketones, a phenolic compounds with hydrogen in the presence of a copper or copper compound as heterogeneous hydrogenation catalyst. | SHELL OIL COMPANY (US) | 2005-09-06 | — | — | US | disclosed |
| US-20040220431-A1 | contacting a feed of alkylaryl ketones, a phenolic compounds with hydrogen in the presence of a copper or copper compound as heterogeneous hydrogenation catalyst. | SHELL USA, INC. | 2004-11-04 | — | — | US | disclosed |
| WO-2004085354-A2 | PROCESS FOR THE HYDROGENATION OF ALKYLARYL KETONES | SHELL INTERNATIONALE RESEARCH MAATSCHAPPIJ B.V. (NL) | 2004-10-07 | — | — | WO | disclosed |