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 | |
|---|---|---|---|---|
| SCHEMBL50200 | 0.94 | — | — | |
| Sulfur Dioxide SCHEMBL28089880 | 0.80 | — | — | |
| Sulfur Dioxide SCHEMBL27819214 | 0.80 | — | — | |
| Vinyl Ether SCHEMBL28090587 | 0.74 | — | — | |
| Ethylene Glycol SCHEMBL2955063 | 0.74 | — | — | |
| Ethylene Glycol SCHEMBL7850509 | 0.71 | TSHR (0.36) | — | |
| SCHEMBL8061934 | 0.69 | — | — | |
| 1,4-Butanediol SCHEMBL7850531 | 0.69 | SMN1; SMN2 (0.35) | — | |
| SCHEMBL12896054 | 0.67 | — | — | |
| SCHEMBL2554926 | 0.67 | — | — |
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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1589308-A | Phosphorus-containing carboxylic acid derivatives, process for preparations thereof and flame retardant | NOF CORP (JP) | 2005-03-02 | — | — | CN | claimed |
| CN-1168144-A | (Meth) acrylic syrup, process for preparing the same, and process for preparing molding material contg. (meth) acrylic syrup | NIPPON CATALYTIC CHEM IND (JP) | 1997-12-17 | — | — | CN | claimed |
| CN-106604979-A | Processed hydrocarbon-containing mixture and method and system for making the same | CM全球系统有限责任公司 | 2017-04-26 | — | — | CN | disclosed |
| CN-105837554-A | Synthesis method for 1,3,5-trithio heterocyclic hexane derivative | 河北科技大学 | 2016-08-10 | — | — | CN | disclosed |
| CN-102585166-B | Active resin composition, method of surface mounting and printed substrate | YAMAHIDE CHEMISTRY CO., LTD. (JP) | 2016-06-01 | — | — | CN | disclosed |
| EP-1433832-B1 | PHOSPHORUS-CONTAINING CARBOXYLIC ACID DERIVATIVES,PROCESS FOR PREPARATION THEREOF, AND FLAME RETARDANTS | NOF CORP (JP) | 2013-11-13 | — | — | EP | disclosed |
| CN-102585166-A | Active resin composition, surface mounting method and printed wiring board | SAN EI KAGAKU CO | 2012-07-18 | — | — | CN | disclosed |
| CN-102482473-A | Photocurable fluoropolymer composition | ASAHI GLASS CO LTD | 2012-05-30 | — | — | CN | disclosed |
| CN-101145005-B | Image forming apparatus and image forming process | RICOH CO LTD | 2011-05-11 | — | — | CN | disclosed |
| CN-100396739-C | Ink jet ink composition for color filter, method for preparing ink composition and method for preparing color filter | DAINIPPON PRINTING CO LTD (JP) | 2008-06-25 | — | — | CN | disclosed |
| CN-101145005-A | Image forming apparatus and image forming process | RICOH KK (JP) | 2008-03-19 | — | — | CN | disclosed |
| CN-1247651-C | Resin composition for optical-semiconductor encapsulation | SUMITOMO CHEMICAL CO (JP) | 2006-03-29 | — | — | CN | disclosed |
| CN-1589308-A | Phosphorus-containing carboxylic acid derivatives, process for preparations thereof and flame retardant | NOF CORP (JP) | 2005-03-02 | — | — | CN | disclosed |
| US-20040249028-A1 | Phosphorus-containing carboxylic acid derivatives process for preparations thereof and flame retardant | NOF CORPORATION (JP) | 2004-12-09 | — | — | US | disclosed |
| EP-1433832-A1 | PHOSPHORUS−CONTAINING CARBOXYLIC ACID DERIVATIVES, PROCESS FOR PREPARATION THEREOF, AND FLAME RETARDANTS | NOF CORPORATION (JP) | 2004-06-30 | — | — | EP | disclosed |
| CN-1507462-A | Resin composition for optical-semiconductor encapsulation | ס�ѻ�ѧ��ҵ��ʽ���� | 2004-06-23 | — | — | CN | disclosed |
| CN-1152058-C | (Meth) acrylic syrup, process for preparing the same, and process for preparing molding material contg. (meth) acrylic syrup | ��ʽ�����ձ���ý | 2004-06-02 | — | — | CN | disclosed |
| CN-1392204-A | Ink jet ink composition for color filter, method for preparing ink composition and method for preparing color filter | DAINIPPON PRINTING CO LTD (JP) | 2003-01-22 | — | — | CN | disclosed |
| CN-1388780-A | Thermo-sensitive recording type lithographical block material, method of making up lithographical block, and lithographical block made up by the making up method | LABO CO LTD (JP) | 2003-01-01 | — | — | CN | disclosed |
| CN-1168144-A | (Meth) acrylic syrup, process for preparing the same, and process for preparing molding material contg. (meth) acrylic syrup | NIPPON CATALYTIC CHEM IND (JP) | 1997-12-17 | — | — | CN | disclosed |