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 | |
|---|---|---|---|---|
| Bromide SCHEMBL726282 | 0.82 | — | — | |
| Water SCHEMBL5712989 | 0.67 | — | — | |
| Water SCHEMBL11673175 | 0.67 | — | — | |
| Water SCHEMBL1204319 | 0.67 | — | — | |
| Water SCHEMBL23533346 | 0.67 | — | — | |
| Water SCHEMBL25327325 | 0.67 | — | — | |
| Water SCHEMBL3699635 | 0.67 | — | — | |
| Water SCHEMBL9321452 | 0.67 | — | — | |
| Water SCHEMBL11727068 | 0.67 | — | — | |
| Water SCHEMBL1144696 | 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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-119306245-A | Preparation method and application of high-purity hydrated rare earth halide | 有研稀土新材料股份有限公司 | 2025-01-14 | — | — | CN | disclosed |
| US-7718568-B2 | Hydrothermally synthesized Mo-V-M-Nb-X oxide catalysts for the selective oxidation of hydrocarbons | ROHM AND HAAS COMPANY (US) | 2010-05-18 | — | — | US | disclosed |
| US-7396955-B2 | Annealed and promoted catalyst | ROHM AND HAAS COMPANY (US) | 2008-07-08 | — | — | US | disclosed |
| US-20080103331-A1 | Annealed and promoted catalyst | GAFFNEY ANNE M | 2008-05-01 | — | — | US | disclosed |
| US-7348292-B2 | Annealed and promoted catalyst | ROHM AND HAAS COMPANY (US) | 2008-03-25 | — | — | US | disclosed |
| US-20060167299-A1 | Hydrothermally synthesized Mo-V-M-Nb-X oxide catalysts for the selective oxidation of hydrocarbons | GAFFNEY ANNE M | 2006-07-27 | — | — | US | disclosed |
| US-7074956-B2 | Hydrothermally synthesized Mo-V-M-X oxide catalysts for the selective oxidation of hydrocarbons | ROHM AND HAAS COMPANY (US) | 2006-07-11 | — | — | US | disclosed |
| US-7053022-B2 | Hydrothermally synthesized MO-V-M-NB-X oxide catalysts for the selective oxidation of hydrocarbons | ROHM AND HAAS COMPANY (US) | 2006-05-30 | — | — | US | disclosed |
| US-20060106244-A1 | Hydrothermally synthesized Mo-V-M-X oxide catalysts for the selective oxidation of hydrocarbons | GAFFNEY ANNE M | 2006-05-18 | — | — | US | disclosed |
| EP-1270068-B1 | Preparation of hydrothermally synthesized Mo-V-M-X oxide catalysts for the selective oxidation of hydrocarbons | ROHM & HAAS (US) | 2006-04-19 | — | — | EP | disclosed |
| US-6645905-B2 | Contacting mixed metal oxide with liquid selected from organic acids, alcohols, inorganic acids and hydrogen peroxide; recovering insoluble material; calcining insoluble material; mixing with promoter in solvent; removing solvent; calcining | ROHM AND HAAS COMPANY | 2003-11-11 | — | — | US | disclosed |
| US-20030004379-A1 | Hydrothermally synthesized MO-V-M-X oxide catalysts for the selective oxidation of hydrocarbons | ROHM AND HAAS COMPANY | 2003-01-02 | — | — | US | disclosed |
| EP-1270068-A1 | Hydrothermally synthesized Mo-V-M-X oxide catalysts for the selective oxidation of hydrocarbons | ROHM AND HAAS COMPANY (US) | 2003-01-02 | — | — | EP | disclosed |
| US-20020183198-A1 | Annealed and promoted catalyst | ROHM AND HAAS COMPANY | 2002-12-05 | — | — | US | disclosed |
| EP-1254706-A2 | Annealed and promoted catalyst | ROHM AND HAAS COMPANY (US) | 2002-11-06 | — | — | EP | disclosed |
| US-20020143208-A1 | Promoted multi-metal oxide catalyst | CHATURVEDI SANJAY (US) | 2002-10-03 | — | — | US | disclosed |
| US-6407031-B1 | VAPOR PHASE OXIDATION OF AN ALKANE OR A MIXTURE OF AN ALKANE AND AN ALKENE TO AN UNSATURATED CARBOXYLIC ACID AND FOR THE VAPOR PHASE AMMOXIDATION OF AN ALKANE OR A MIXTURE OF AN ALKANE AND AN ALKENE TO AN UNSATURATED NITRILE. | ROHM AND HAAS COMPANY | 2002-06-18 | — | — | US | disclosed |
| US-20020062042-A1 | PROMOTED MULTI-METAL OXIDE CATALYST | ROHM AND HAAS COMPANY | 2002-05-23 | — | — | US | disclosed |
| CN-1346700-A | Cocatalytic polymetallic oxide catalyst | ROHM & HAAS (US) | 2002-05-01 | — | — | CN | disclosed |
| EP-1192988-A1 | Promoted multi-metal oxide catalyst | ROHM AND HAAS COMPANY (US) | 2002-04-03 | — | — | EP | disclosed |