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 | |
|---|---|---|---|---|
| SCHEMBL164343 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL10455878 | 0.89 | — | — | |
| SCHEMBL1030159 | 0.67 | — | — | |
| SCHEMBL30986998 | 0.67 | — | — | |
| SCHEMBL30986909 | 0.67 | — | — | |
| SCHEMBL29082902 | 0.67 | — | — | |
| Propane SCHEMBL7199013 | 0.60 | — | — | |
| Propane SCHEMBL8755715 | 0.60 | — | — | |
| Propane SCHEMBL272919 | 0.60 | — | — | |
| Propane SCHEMBL7198921 | 0.60 | — | — |
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 17 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-109757104-B | Thermoplastic resin composition and metal joint and method for producing same | 东丽先端材料研究开发（中国）有限公司 | 2023-10-13 | — | — | CN | disclosed |
| WO-2021129393-A1 | POLYESTER RESIN, POLYESTER RESIN COMPOSITION, AND MOLDED PRODUCT THEREOF | 东丽先端材料研究开发（中国）有限公司 | 2021-07-01 | — | — | WO | disclosed |
| WO-2021129394-A1 | POLYESTER RESIN, POLYESTER RESIN COMPOSITION, AND MOLDED PRODUCT THEREOF | 东丽先端材料研究开发（中国）有限公司 | 2021-07-01 | — | — | WO | disclosed |
| WO-2021052397-A1 | HIGH-STRENGTH ULTRA-THIN BIODEGRADABLE THIN FILM AND PREPARATION METHOD THEREFOR | 中国石油化工股份有限公司 | 2021-03-25 | — | — | WO | disclosed |
| US-20210054188-A1 | HIGHLY HYGROSCOPIC SEA-ISLAND TYPE COMPOSITE FIBER, FIBER STRUCTURE, AND POLYESTER COMPOSITION | TORAY INDUSTRIES, INC. (JP) | 2021-02-25 | — | — | US | disclosed |
| EP-3767017-A1 | HIGHLY HYGROSCOPIC SEA-ISLAND TYPE COMPOSITE FIBER, FIBER STRUCTURE, AND POLYESTER COMPOSITION | Toray Industries, Inc. (JP) | 2021-01-20 | — | — | EP | disclosed |
| CN-107709459-B | Polycarbonate resin composition, method for producing same, and molded article | 华东理工大学 | 2020-06-19 | — | — | CN | disclosed |
| CN-108026257-B | Terminal-modified polybutylene terephthalate resin, thermoplastic resin composition containing same, and molded article | TORAY INDUSTRIES, INC. (JP) | 2019-12-10 | — | — | CN | disclosed |
| WO-2019176811-A1 | HIGHLY HYGROSCOPIC SEA-ISLAND TYPE COMPOSITE FIBER, FIBER STRUCTURE, AND POLYESTER COMPOSITION | 東レ株式会社 | 2019-09-19 | — | — | WO | disclosed |
| CN-109757104-A | A kind of conjugant and its manufacturing method of thermoplastic resin composition and metal | 东丽先端材料研究开发（中国）有限公司 | 2019-05-14 | — | — | CN | disclosed |
| CN-107849344-A | Polycarbonate resin compound | 华东理工大学 | 2018-03-27 | — | — | CN | disclosed |
| CN-107709459-A | Polycarbonate resin composition, method for producing same, and molded article | 华东理工大学 | 2018-02-16 | — | — | CN | disclosed |
| EP-2484725-B1 | POLYESTER RESIN COMPOSITION, POLYESTER FIBER, POLYESTER RESIN MOLDED ARTICLE, AND PROCESS FOR PRODUCTION OF NUCLEATING AGENT FOR POLYESTER RESIN | ADEKA CORP (JP) | 2017-07-19 | — | — | EP | disclosed |
| US-20140001672-A1 | POLYESTER RESIN COMPOSITION, POLYESTER FIBER, POLYESTER RESIN MOLDED ARTICLE, AND PROCESS FOR PRODUCTION OF NUCLEATING AGENT FOR POLYESTER RESIN | ADEKA CORPORATION (JP) | 2014-01-02 | — | — | US | disclosed |
| EP-2484725-A1 | POLYESTER RESIN COMPOSITION, POLYESTER FIBER, POLYESTER RESIN MOLDED ARTICLE, AND PROCESS FOR PRODUCTION OF NUCLEATING AGENT FOR POLYESTER RESIN | Adeka Corporation (JP) | 2012-08-08 | — | — | EP | disclosed |
| US-20120189793-A1 | POLYESTER RESIN COMPOSITION, POLYESTER FIBER, POLYESTER RESIN MOLDED ARTICLE, AND PROCESS FOR PRODUCTION OF NUCLEATING AGENT FOR POLYESTER RESIN | ADEKA CORPORATION (JP) | 2012-07-26 | — | — | US | disclosed |
| WO-2010074925-A1 | IN-SITU CATALYST AND MOISTURE GENERATION FOR CROSSLINKING OF SILANE-FUNCTIONALIZED POLYOLEFINS | DOW GLOBAL TECHNOLOGIES INC. (US) | 2010-07-01 | — | — | WO | disclosed |