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 SCHEMBL28303297 | 1.00 | — | — | |
| Water SCHEMBL11749671 | 1.00 | — | — | |
| Water SCHEMBL29140207 | 1.00 | — | — | |
| Water SCHEMBL27352815 | 1.00 | — | — | |
| Water SCHEMBL19762 | 1.00 | — | — | |
| Water SCHEMBL5066635 | 1.00 | — | — | |
| Water SCHEMBL23093704 | 0.82 | — | — | |
| Water SCHEMBL9722943 | 0.82 | — | — | |
| Methane SCHEMBL2579966 | 0.82 | — | — | |
| Water SCHEMBL1900085 | 0.82 | — | — |
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 596 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-116715672-B | Trifluoromethyl modified macrocyclic supermolecule main body molecular cup and metal molecular cup, and preparation methods and applications thereof | 上海大学 | 2024-11-26 | — | — | CN | claimed |
| CN-118812553-A | Fluorine-containing functionalized macrocyclic supermolecule main body molecular cup and preparation method and application thereof | 上海大学 | 2024-10-22 | — | — | CN | claimed |
| CN-116715672-A | Trifluoromethyl modified macrocyclic supermolecule main body molecular cup and metal molecular cup, and preparation methods and applications thereof | 上海大学 | 2023-09-08 | — | — | CN | claimed |
| CN-102471248-B | Methods, compounds, and compositions for delivering 1,3-propan ed isulfonic acid | BELLUS HEALTH INTERNATIONAL LTD | 2015-01-07 | — | — | CN | claimed |
| CN-102471248-A | Methods, compounds, and compositions for delivering 1,3-propan ed isulfonic acid | BELLUS HEALTH INTERNATIONAL LTD | 2012-05-23 | — | — | CN | claimed |
| EP-1399458-B1 | AN ARYLATION METHOD FOR THE FUNCTIONALIZATION OF O-ALLYL ERYTHROMYCIN DERIVATIVES | ABBOTT LAB (US) | 2005-08-03 | — | — | EP | claimed |
| EP-0630365-B1 | METHOD FOR PREPARING BETA-PHENYLISOSERINE AND ANALOGUES THEREOF | RHONE POULENC RORER SA (FR) | 1997-10-22 | — | — | EP | claimed |
| US-5608102-A | Process for the preparation of β-phenylisoserine and its analogues | RHONE-POULENC RORER S.A. (FR) | 1997-03-04 | — | — | US | claimed |
| US-4324700-A | PRECIPITATION OF HYDROXIDE, DISSOLVING WITH SULFUROUS ACID, ADSORPTION ON SUPPORT, DRYING AND FIRING | JOHNSON MATTHEY PUBLIC LIMITED COMPANY (GB) | 1982-04-13 | — | — | US | claimed |
| US-6433164-B1 | — | — | None | — | — | US | disclosed |
| JP-4108616-A | — | — | None | — | — | JP | disclosed |
| US-20260091048-A1 | GIP RECEPTOR AGONIST COMPOUNDS | LILLY CO ELI (US) | 2026-04-02 | — | — | US | disclosed |
| US-20250346600-A1 | TRICYCLIC DERIVATIVES AND RELATED USES | MOMA THERAPEUTICS, INC. | 2025-11-13 | — | — | US | disclosed |
| WO-2025151449-A1 | BIFUNCTIONAL P53-BINDING COMPOUNDS AND USES THEREOF | PHOTYS THERAPEUTICS, INC. (US) | 2025-07-17 | — | — | WO | disclosed |
| JP-H04108616-A | PRODUCTION OF TETRAAMMINE PALLADIUM DIHYDROXIDE | TANAKA KIKINZOKU KOGYO KK | 1992-04-09 | — | — | JP | disclosed |
| US-5060672-A | Synergistic scavengers for formaldehyde; unsaturated diols; cigarette smoke; anticarcinogenic agents | PESCI DOHANYGYAR (HU) | 1991-10-29 | — | — | US | disclosed |
| CN-1039591-A | Enamine quaternary compounds and manufacture method and the application in muscle relaxant thereof | BOC INC (US) | 1990-02-14 | — | — | CN | disclosed |
| US-H725-H | Ureido amino and imino acids, compositions and methods for use | E. R. SQUIBB & SONS, INC. (US) | 1990-01-02 | — | — | US | disclosed |
| EP-0152314-B1 | PROCESS FOR THE PREPARATION OF CATALYSTS COMPRISING COPPER, ZINC AND ALUMINIUM, USEFUL IN THE PRODUCTION OF METHANOL FROM SYNTHESIS GAS | Institut Français du Pétrole (FR) | 1987-08-12 | — | — | EP | disclosed |
| EP-0152314-A2 | Process for the preparation of catalysts comprising copper, zinc and aluminium, useful in the production of methanol from synthesis gas | Institut Français du Pétrole (FR) | 1985-08-21 | — | — | EP | disclosed |