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 SCHEMBL5970697 | 1.00 | — | — | |
| Water SCHEMBL22987128 | 1.00 | — | — | |
| SCHEMBL2030470 | 0.97 | GGT1 (0.50) | — | |
| SCHEMBL23349 | 0.97 | — | — | |
| SCHEMBL23350 | 0.97 | — | — | |
| SCHEMBL23348 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL1236580 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL9900847 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL14485409 | 0.94 | — | — | |
| SCHEMBL28760307 | 0.94 | — | — |
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 16 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-120202243-A | Thermosetting resin composition, cured film, substrate, and electronic component | 捷恩智株式会社 | 2025-06-24 | — | — | CN | disclosed |
| US-11772085-B2 | Far superior oxidation catalysts based on macrocyclic compounds | CARNEGIE MELLON UNIVERSITY (US) | 2023-10-03 | — | — | US | disclosed |
| EP-4015511-A1 | OXIDATION CATALYSTS BASED ON MACROCYCLIC COMPOUNDS | CARNEGIE MELLON UNIVERSITY (US) | 2022-06-22 | — | — | EP | disclosed |
| EP-3353157-B1 | OXIDATION CATALYSTS BASED ON MACROCYCLIC COMPOUNDS | UNIV CARNEGIE MELLON (US) | 2021-11-24 | — | — | EP | disclosed |
| EP-3586838-B1 | AMIDE DERIVATIVE | DAIICHI SANKYO CO LTD (JP) | 2021-10-27 | — | — | EP | disclosed |
| US-20210086171-A1 | FAR SUPERIOR OXIDATION CATALYSTS BASED ON MACROCYCLIC COMPOUNDS | CARNEGIE MELLON UNIVERSITY | 2021-03-25 | — | — | US | disclosed |
| US-10925848-B2 | Amide derivative | DAIICHI SANKYO COMPANY, LIMITED (JP) | 2021-02-23 | — | — | US | disclosed |
| US-10926248-B2 | Far superior oxidation catalysts based on macrocyclic compounds | CARNEGIE MELLON UNIVERSITY (US) | 2021-02-23 | — | — | US | disclosed |
| US-20180304247-A1 | FAR SUPERIOR OXIDATION CATALYSTS BASED ON MACROCYCLIC COMPOUNDS | CARNEGIE MELLON UNIVERSITY | 2018-10-25 | — | — | US | disclosed |
| EP-3353157-A1 | FAR SUPERIOR OXIDATION CATALYSTS BASED ON MACROCYCLIC COMPOUNDS | Carnegie Mellon University (US) | 2018-08-01 | — | — | EP | disclosed |
| WO-2017053564-A1 | FAR SUPERIOR OXIDATION CATALYSTS BASED ON MACROCYCLIC COMPOUNDS | CARNEGIE MELLON UNIVERSITY (US) | 2017-03-30 | — | — | WO | disclosed |
| US-20060229236-A1 | Cyclic tetrapeptide compound and use thereof | FUJISAWA PHARMACEUTICAL CO. LTD. (JP) | 2006-10-12 | — | — | US | disclosed |
| US-7060818-B2 | Synthesis of macrocyclic tetraamido compounds and new metal insertion process | CARNEGIE MELLON UNIVERSITY (US) | 2006-06-13 | — | — | US | disclosed |
| EP-1458746-A2 | CYCLIC TETRAPEPTIDE COMPOUND AND USE THEREOF | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2004-09-22 | — | — | EP | disclosed |
| WO-2003057722-A2 | CYCLIC TETRAPEPTIDE COMPOUND AND USE THEREOF | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2003-07-17 | — | — | WO | disclosed |
| EP-0914206-B1 | LONG-LIVED HOMOGENOUS OXIDATION CATALYSTS | UNIV CARNEGIE MELLON (US) | 2002-12-11 | — | — | EP | disclosed |