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 SCHEMBL2355571 | 1.00 | — | — | |
| Water SCHEMBL191064 | 1.00 | — | — | |
| Water SCHEMBL578189 | 1.00 | — | — | |
| Water SCHEMBL5931985 | 1.00 | — | — | |
| Water SCHEMBL1361802 | 1.00 | — | — | |
| Water SCHEMBL9394561 | 1.00 | — | — | |
| Water SCHEMBL27223 | 1.00 | — | — | |
| Water SCHEMBL63323 | 1.00 | — | — | |
| Water SCHEMBL11408028 | 0.82 | — | — | |
| Water SCHEMBL30862293 | 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 47 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1554330-B1 | PARTIALLY ESTER-EXCHANGED SIPM AND PROCESS THEREWITH | INVISTA TECH SARL (CH) | 2009-03-11 | — | — | EP | disclosed |
| EP-1373359-A4 | METAL-CONTAINING COMPOSITION AND PROCESS THEREWITH | DU PONT (US) | 2008-08-20 | — | — | EP | disclosed |
| CN-100402578-C | Partially ester exchanged SIPM and related methods | INVISTA TECH SARL (US) | 2008-07-16 | — | — | CN | disclosed |
| CN-1304455-C | metal-containing compositions and related methods | DU PONT (US) | 2007-03-14 | — | — | CN | disclosed |
| EP-1669388-A1 | Process for producing copolymers comprising isophthalic acid | E.I.Du pont de nemours and company (US) | 2006-06-14 | — | — | EP | disclosed |
| US-7026434-B1 | Polyester and process therefor | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 2006-04-11 | — | — | US | disclosed |
| US-6998462-B2 | esterification, ester interchange, and/or condensation polymerization of dicarboxylic acids or esters with alcohols in the presence of catalysts; catalysis | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 2006-02-14 | — | — | US | disclosed |
| CN-1665860-A | Partially ester-exchanged SIPM and process therewith | INVISTA TECH SARL (US) | 2005-09-07 | — | — | CN | disclosed |
| EP-1554330-A1 | PARTIALLY ESTER-EXCHANGED SIPM AND PROCESS THEREWITH | INVISTA Technologies S.à.r.l. (US) | 2005-07-20 | — | — | EP | disclosed |
| US-20040254330-A1 | esterification, ester interchange, and/or condensation polymerization of dicarboxylic acids or esters with alcohols in the presence of catalysts; catalysis | E.I. DU PONT DE NEMOURS AND COMPANY | 2004-12-16 | — | — | US | disclosed |
| US-6255441-B1 | COMPOSITION COMPRISING TITANIUM COMPOUND, SOLUBILITY PROMOTER SELECTED FROM ORTHO SILICATES AND/OR ORTHO ZIRCONATES, PHOSPHORUS SOURCE SELECTED FROM PHOSPHONIC ACIDS, PHOSPHINIC ACIDS AND/OR PHOSPHINES, AND SOLVENT | E. I. DU PONT DE NEMOURS AND COMPANY | 2001-07-03 | — | — | US | disclosed |
| CN-1297376-A | Catalytic composition comprising titanium compound, amine and phosphorus compound, preparation and use thereof | DU PONT (US) | 2001-05-30 | — | — | CN | disclosed |
| CN-1297374-A | Catalyst composition comprising titanium, phosphorus and a dissolution promoter, its preparation and use | DU PONT (US) | 2001-05-30 | — | — | CN | disclosed |
| EP-1073519-A1 | CATALYST COMPOSITION COMPRISING A TITANIUM COMPOUND, A PHOSPHORUS COMPOUND AND A SOLUBILITY PROMOTER; PREPARATION AND USE THEREOF | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 2001-02-07 | — | — | EP | disclosed |
| EP-1071510-A1 | CATALYTIC COMPOSITION COMPRISING A TITANIUM COMPOUND, AN AMINE AND A PHOSPHORUS COMPOUND; PREPARATION AND USE THEREOF | E.I. DUPONT DE NEMOURS AND COMPANY (US) | 2001-01-31 | — | — | EP | disclosed |
| WO-2000062927-A1 | TITANIUM-CONTAINING CATALYST COMPOSITION AND PROCESSES THEREFOR AND THEREWITH | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 2000-10-26 | — | — | WO | disclosed |
| US-6080834-A | ORGANOTITANIUM COMPOUND, A HYDROXYCARBOXYLIC ACID OR AMINOCARBOXYLIC ACID COMPLEXING AGENT, SOLVENT, AND A PHOSPHONIC, A PHOSPHINIC, OR A PHOSPHINE PHOSPHORUS SOURCE; USE AS (TRANS)ESTERIFICATION, OR POLYMERIZATION CATALYST | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2000-06-27 | — | — | US | disclosed |
| US-6066714-A | Titanium-containing catalyst composition and processes therefor and therewith | E. I. DU PONT DE NEMOURS AND COMPANY (US) | 2000-05-23 | — | — | US | disclosed |
| WO-1999054039-A1 | CATALYST COMPOSITION COMPRISING A TITANIUM COMPOUND, A PHOSPHORUS COMPOUND AND A SOLUBILITY PROMOTER; PREPARATION AND USE THEREOF | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1999-10-28 | — | — | WO | disclosed |
| WO-1999054040-A1 | CATALYTIC COMPOSITION COMPRISING A TITANIUM COMPOUND, AN AMINE AND A PHOSPHORUS COMPOUND; PREPARATION AND USE THEREOF | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 1999-10-28 | — | — | WO | disclosed |