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 SCHEMBL28313178 | 0.91 | — | — | |
| Water SCHEMBL28122856 | 0.91 | — | — | |
| SCHEMBL6713 | 0.89 | — | — | |
| SCHEMBL27317105 | 0.89 | — | — | |
| Hydrogen Sulfide SCHEMBL10979966 | 0.80 | — | — | |
| SCHEMBL11798212 | 0.80 | — | — | |
| SCHEMBL4731788 | 0.80 | — | — | |
| Iodide SCHEMBL4433797 | 0.80 | — | — | |
| SCHEMBL10414199 | 0.80 | — | — | |
| SCHEMBL16039847 | 0.80 | — | — |
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 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0913376-B1 | Process for the preparation of cyclohexanones | MERCK PATENT GMBH (DE) | 2002-02-13 | — | — | EP | claimed |
| US-5081268-A | Process for the preparation of oxetanes from 1,3-glycol monosulfates | ARCO CHEMICAL TECHNOLOGY, INC. (US) | 1992-01-14 | — | — | US | claimed |
| US-20130345104-A1 | POLYISOBUTENYL SULFONATES HAVING LOW POLYDISPERSITY | CHEVRON ORONITE COMPANY LLC (US) | 2013-12-26 | — | — | US | disclosed |
| US-8603956-B2 | Super overbased polyalkenyl sulfonate and alkylaryl sulfonate composition and process for making the same | CHEVRON ORONITE COMPANY LLC (US) | 2013-12-10 | — | — | US | disclosed |
| US-8362153-B2 | Have improved low temperature and high temperature viscometric properties; sulfonating polyisobutene and reacting the polyisobutenyl sulfonate with an alkali metal or alkaline earth metal | CHEVRON ORONITE COMPANY LLC (US) | 2013-01-29 | — | — | US | disclosed |
| EP-1845149-B1 | Super overbased polyalkenyl sulfonate and alkylaryl sulfonate composition and process for making the same | CHEVRON ORONITE CO (US) | 2010-05-05 | — | — | EP | disclosed |
| US-7498386-B2 | Derivatives of polymers for permanent modification of hydrophobic polymers | BASF SE (DE) | 2009-03-03 | — | — | US | disclosed |
| EP-1514881-B1 | Improved process for the preparation of stabilized polyalkenyl sulfonic acids | CHEVRON ORONITE CO (US) | 2008-08-27 | — | — | EP | disclosed |
| US-20080199420-A1 | Cosmetic oil in water emulsion ofamphiphilic polymer with hydrophilic and hydrophobic units formed from polyisobutenes modified with terminal polar groups, emulsifier, oil and water; ethylene oxide-propylene oxide block polymer modified polyisobutenyl succinic anhydride; hydroxylation, epoxidation | BASF AKTIENGESELLSCHAFT (DE) | 2008-08-21 | — | — | US | disclosed |
| US-20080146476-A1 | POLYISOBUTENYL SULFONATES HAVING LOW POLYDISPERSITY | CHEVRON ORONITE COMPANY LLC | 2008-06-19 | — | — | US | disclosed |
| EP-1932859-A2 | Polyisobutenyl sulfonates having low polydispersity | Chevron Oronite Company LLC (US) | 2008-06-18 | — | — | EP | disclosed |
| EP-1514881-A1 | Improved process for the preparation of stabilized polyalkenyl sulfonic acids | Chevron Oronite Company LLC (US) | 2005-03-16 | — | — | EP | disclosed |
| US-20040209787-A1 | Method of improving the frictional properties of functional fluids | CHEVRON ORONITE COMPANY LLC | 2004-10-21 | — | — | US | disclosed |
| US-20040102339-A1 | Method of improving the frictional properties of functional fluids | CHEVRON ORONITE COMPANY LLC | 2004-05-27 | — | — | US | disclosed |
| US-20040018946-A1 | Method of improving the frictional properties of functional fluids | CHEVRON ORONITE COMPANY LLC | 2004-01-29 | — | — | US | disclosed |
| EP-1384769-A1 | Method of improving the frictional properties of functional fluids | Chevron Oronite Company LLC (US) | 2004-01-28 | — | — | EP | disclosed |
| US-6410491-B1 | OVERBASED COMPOUNDS; OIL ADDITIVES | CHEVRON CHEMICAL COMPANY LLC | 2002-06-25 | — | — | US | disclosed |
| EP-1210378-A2 | POLYALKENYL SULFONATES | Chevron Oronite Company LLC (US) | 2002-06-05 | — | — | EP | disclosed |
| WO-2001070830-A2 | POLYALKENYL SULFONATES | CHEVRON ORONITE COMPANY LLC (US) | 2001-09-27 | — | — | WO | disclosed |
| US-5081268-A | Process for the preparation of oxetanes from 1,3-glycol monosulfates | ARCO CHEMICAL TECHNOLOGY, INC. (US) | 1992-01-14 | — | — | US | disclosed |