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 SCHEMBL3751176 | 1.00 | — | — | |
| Water SCHEMBL27529 | 1.00 | — | — | |
| Water SCHEMBL3890263 | 1.00 | — | — | |
| Water SCHEMBL3757657 | 1.00 | — | — | |
| Water SCHEMBL22288080 | 1.00 | — | — | |
| Water SCHEMBL608426 | 1.00 | — | — | |
| Water SCHEMBL10490222 | 1.00 | — | — | |
| Water SCHEMBL3181554 | 1.00 | — | — | |
| Water SCHEMBL11265262 | 1.00 | — | — | |
| Water SCHEMBL2036070 | 1.00 | — | — |
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 51 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3971327-B1 | ELECTRODE FOR ELECTROLYSIS | LG CHEMICAL LTD (KR) | 2024-06-19 | — | — | EP | claimed |
| CN-114456300-B | Flocculant for sand washing ore dressing and preparation method thereof | 云南森博混凝土外加剂有限公司 | 2023-06-06 | — | — | CN | claimed |
| EP-2892909-B1 | PROCESS FOR THE PREPARATION OF 11-METHYLENE-18-METHYLESTR-4-EN-3,17-DIONE, USEFUL AS AN INTERMEDIATE IN THE SYNTHESIS OF COMPOUNDS WITH PHARMACOLOGICAL ACTIVITY. | IND CHIMICA SRL (IT) | 2016-08-24 | — | — | EP | claimed |
| EP-2114826-B1 | AN IMPROVED SOL-GEL PROCESS FOR THE PREPARATION OF NANOCRYSTALLINE CeTi2O6 POWDER | COUNCIL SCIENT IND RES (IN) | 2011-04-06 | — | — | EP | claimed |
| US-20100048920-A1 | Preparation of (+)-Catechin, (-)-Epicatechin, (-)-Catechin, and (+)-Epicatechin and Their 5,7,3',4'-Tetra-O-Benzyl Analogues | MARS, INCORPORATED (US) | 2010-02-25 | — | — | US | claimed |
| CN-101248057-A | Preparation of (+) -catechin, (-) -epicatechin, (-) -catechin, (+) -epicatechin, and their 5, 7, 3 ', 4' -tetra-O-benzyl analogues | MARS INC (US) | 2008-08-20 | — | — | CN | claimed |
| EP-1896443-A1 | PREPARATION OF (+)-CATECHIN, (-)-EPICATECHIN, (-)-CATECHIN, (+)-EPICATECHIN, AND THEIR 5,7,3',4'-TETRA-O-BENZYL ANALOGUES | MARS, INCORPORATED (US) | 2008-03-12 | — | — | EP | claimed |
| WO-2007002877-A1 | PREPARATION OF (+)-CATECHIN, (-)-EPICATECHIN, (-)-CATECHIN, (+)-EPICATECHIN, AND THEIR 5,7,3',4'-TETRA-O-BENZYL ANALOGUES | MARS, INCORPORATED (US) | 2007-01-04 | — | — | WO | claimed |
| EP-0917534-B1 | 6,7-OXYGENATED STEROIDS AND USES RELATED THERETO | INFLAZYME PHARM LTD (CA) | 2002-12-04 | — | — | EP | claimed |
| CN-111170991-B | Antiproliferative compounds and methods of synthesis thereof | 细胞基因公司 | 2023-10-31 | — | — | CN | disclosed |
| CN-114787103-A | Sintered body having excellent impact resistance | 东曹株式会社 | 2022-07-22 | — | — | CN | disclosed |
| EP-3325694-B1 | CULINARY ITEM INCLUDING A RARE-EARTH OXIDE LAYER | SEB SA (FR) | 2020-04-01 | — | — | EP | disclosed |
| EP-3325694-A1 | CULINARY ITEM INCLUDING A RARE-EARTH OXIDE LAYER | SEB S.A. (FR) | 2018-05-30 | — | — | EP | disclosed |
| CN-107802623-A | For the bone related disease of EP4 mediations and the difluoro lactam composition of illness | 开曼化学股份有限公司 | 2018-03-16 | — | — | CN | disclosed |
| EP-0611755-B1 | (Cyclohexyl)-alken compounds, process for their preparation and pharmaceutical compositions containing them | ADIR (FR) | 1996-07-10 | — | — | EP | disclosed |
| EP-0639552-A1 | Napthalenederivatives, their preparation and pharmaceutical compositions containing them | ADIR ET COMPAGNIE (FR) | 1995-02-22 | — | — | EP | disclosed |
| EP-0623140-A1 | NOVEL 19-NOR STEROIDS HAVING A THIOCARBON-CONTAINING CHAIN IN THE 11BETA POSITION, A METHOD FOR PREPARING SAME AND INTERMEDIATES THEREFOR, MEDICINAL USES THEREOF AND COMPOSITIONS CONTAINING SAID STEROIDS | ROUSSEL UCLAF (FR) | 1994-11-09 | — | — | EP | disclosed |
| EP-0611755-A1 | (Cyclohexyl)-alken compounds, process for their preparation and pharmaceutical compositions containing them | ADIR ET COMPAGNIE (FR) | 1994-08-24 | — | — | EP | disclosed |
| EP-0560682-A1 | Keratinous fibres dye compositions with 4-monoindolyl 1,2-naphthochinones, 4-monoindolyl 1,2-naphthoquinones | L'OREAL (FR) | 1993-09-15 | — | — | EP | disclosed |
| WO-1993013123-A1 | NOVEL 19-NOR STEROIDS HAVING A THIOCARBON-CONTAINING CHAIN IN THE 11BETA POSITION, A METHOD FOR PREPARING SAME AND INTERMEDIATES THEREFOR, MEDICINAL USES THEREOF AND COMPOSITIONS CONTAINING SAID STEROIDS | ROUSSEL-UCLAF (FR) | 1993-07-08 | — | — | WO | disclosed |