Catechol

Catechol

SCHEMBL330099

O.Oc1ccccc1O

nearest known ligand 0.00

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO

The experimentally established mechanism targets of Catechol. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.

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.

Compoundsimilaritytop predictedshared targets
Catechol SCHEMBL28144119 1.00 ALDH1A1 (0.91)
Catechol SCHEMBL28322998 1.00 ALDH1A1 (0.91)
Catechol SCHEMBL30543687 1.00 ALDH1A1 (0.91)
Catechol SCHEMBL27394877 0.96 CA2 (0.83)
Catechol SCHEMBL28550370 0.96 ALDH1A1 (0.83)
Catechol SCHEMBL27672238 0.96 ALDH1A1 (0.83)
Catechol SCHEMBL11319346 0.96 ALDH1A1 (0.83)
Catechol SCHEMBL30088487 0.95
Catechol SCHEMBL29352716 0.95
Catechol SCHEMBL11672589 0.95 ALDH1A1 (1.00)

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 53 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105555314-B Edible plasticizer for food and food package film 英派尔科技开发有限公司 2019-02-26 CN claimed
US-9611451-B2 Metal-safe solid form aqueous-based compositions and methods to remove polymeric materials in electronics manufacturing MOORE JOHN (US) 2017-04-04 US claimed
CN-1028537-C Removal of Metals from Hydrocarbon Feedstocks Using Complexing Agents CHINA PETROCHEMICAL CORP (CN) 1995-05-24 CN claimed
CN-1054261-A From hydrocarbon feed, remove metal with recombiner CHINA PETRO CHEMICAL CO (CN) 1991-09-04 CN claimed
US-4486611-A SOLVENT EXTRACTION WITH ALIPHATIC HYDROCARBON BAYER AKTIENGESELLSCHAFT (DE) 1984-12-04 US claimed
JP-52156845-A None JP disclosed
CN-109824379-A A kind of preparation method of air permeable waterproof clear-water concrete protective agent 沈继锋 2019-05-31 CN disclosed
US-9670441-B2 Method for treating a fluid, in particular a beverage PALL CORPORATION (US) 2017-06-06 US disclosed
CN-106616987-A Nutrient emulsion and preparation method and application thereof 中山大学 2017-05-10 CN disclosed
CN-102391942-B The method processing fluid particularly beverage 帕尔公司 2016-08-17 CN disclosed
EP-2407530-B1 Method for treating a fluid, in particular a beverage PALL CORP (US) 2013-08-21 EP disclosed
CN-101711768-B Use of diosmin in the manufacture of a medicament YIJING YANG 2012-05-30 CN disclosed
US-4647676-A Process for the isolation of 2,2-dimethyl-7-hydroxy-coumaran BAYER AKTIENGESELLSCHAFT (DE) 1987-03-03 US disclosed
EP-0074591-B1 PROCESS FOR THE ISOLATION OF DIHYDROXYBENZENE-MONOETHERS FROM REACTION MIXTURES BAYER AG (DE) 1986-01-29 EP disclosed
US-4486611-A SOLVENT EXTRACTION WITH ALIPHATIC HYDROCARBON BAYER AKTIENGESELLSCHAFT (DE) 1984-12-04 US disclosed
US-4486611-A SOLVENT EXTRACTION WITH ALIPHATIC HYDROCARBON BAYER AKTIENGESELLSCHAFT (DE) 1984-12-04 US disclosed
US-4486611-A SOLVENT EXTRACTION WITH ALIPHATIC HYDROCARBON BAYER AKTIENGESELLSCHAFT (DE) 1984-12-04 US disclosed
EP-0074591-A1 Process for the isolation of dihydroxybenzene-monoethers from reaction mixtures BAYER AG (DE) 1983-03-23 EP disclosed
EP-0074591-A1 Process for the isolation of dihydroxybenzene-monoethers from reaction mixtures BAYER AG (DE) 1983-03-23 EP disclosed
JP-S52156845-A CARBONATION OF INDENE MITSUBISHI CHEM IND LTD 1977-12-27 JP disclosed