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 | |
|---|---|---|---|---|
| SCHEMBL12334971 | 0.96 | ALDH1A1 (0.36) | — | |
| SCHEMBL3219 | 0.96 | — | — | |
| SCHEMBL272959 | 0.96 | — | — | |
| SCHEMBL14844281 | 0.96 | — | — | |
| SCHEMBL2183062 | 0.96 | — | — | |
| SCHEMBL27491381 | 0.96 | ALDH1A1 (0.36) | — | |
| SCHEMBL12203926 | 0.96 | — | — | |
| SCHEMBL7933931 | 0.96 | — | — | |
| SCHEMBL23934877 | 0.92 | ALDH1A1 (0.33) | — | |
| SCHEMBL12335159 | 0.92 | ALDH1A1 (0.33) | — |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1896118-A | Sodium crown ether Salen Schief base isobi-metal condensation complex, its preparation and use | XIBEI NORMAL UNIV (CN) | 2007-01-17 | — | — | CN | claimed |
| CN-1023217-C | Process for producing phenols | MITSUI PETROCHEMICAL IND (JP) | 1993-12-22 | — | — | CN | claimed |
| CN-1033618-A | Produce the method for phenol | MITSUI PETROCHEMICAL IND (JP) | 1989-07-05 | — | — | CN | claimed |
| CN-102442895-B | Method for synthesizing cyclohexenone from cyclohexene | JIANGSU YANGNONG CHEMICAL GROUP CO LTD | 2015-04-08 | — | — | CN | disclosed |
| CN-102962099-A | Preparation method of attapulgite immobilized salicylidene schiff base Co<2+> and Mn<2+> complex oxidation catalyst | HUAIYIN TEACHER COLLEGE | 2013-03-13 | — | — | CN | disclosed |
| CN-101966464-B | Supported nano gold catalyst for cyclohexene oxidation and preparation method thereof | UNIV ZHEJIANG | 2012-06-06 | — | — | CN | disclosed |
| CN-102442895-A | Method for synthesizing cyclohexenone by using cyclohexene | JIANGSU YANGNONG CHEMICAL GROUP CO LTD | 2012-05-09 | — | — | CN | disclosed |
| CN-102071229-A | Method for epoxidizing cyclohexene by using enzymatic molecular oxygen | DALIAN CHEMICAL PHYSICS INST | 2011-05-25 | — | — | CN | disclosed |
| CN-101966464-A | Supported nano gold catalyst for cyclohexene oxidation and preparation method thereof | UNIV ZHEJIANG | 2011-02-09 | — | — | CN | disclosed |
| CN-101804347-A | Preparation method and purpose of supported nano-gold catalyst for cyclohexene oxide | UNIV ZHEJIANG | 2010-08-18 | — | — | CN | disclosed |
| CN-100460444-C | Sodium crown ether Salen Schief base isobi-metal condensation complex, its preparation and use | UNIV NORTHWEST NORMAL (CN) | 2009-02-11 | — | — | CN | disclosed |
| CN-1896118-A | Sodium crown ether Salen Schief base isobi-metal condensation complex, its preparation and use | XIBEI NORMAL UNIV (CN) | 2007-01-17 | — | — | CN | disclosed |
| CN-1344302-A | Radiation curable water based cationic inks and coatings | SUN CHEMICAL CORP (US) | 2002-04-10 | — | — | CN | disclosed |
| EP-0645363-B1 | PROCESS FOR PRODUCING ADIPIC ACID | ASAHI CHEMICAL IND (JP) | 1998-06-24 | — | — | EP | disclosed |
| US-5455375-A | Hydrating cyclohexene oxide to 1,2-dihydroxycyclohexane and oligomers, followed by oxidation in nitric acid aolution | ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) | 1995-10-03 | — | — | US | disclosed |
| EP-0645363-A1 | PROCESS FOR PRODUCING ADIPIC ACID | Asahi Kasei Kogyo Kabushiki Kaisha (JP) | 1995-03-29 | — | — | EP | disclosed |
| CN-1023217-C | Process for producing phenols | MITSUI PETROCHEMICAL IND (JP) | 1993-12-22 | — | — | CN | disclosed |
| CN-1033618-A | Produce the method for phenol | MITSUI PETROCHEMICAL IND (JP) | 1989-07-05 | — | — | CN | disclosed |