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 SCHEMBL27672238 0.96 ALDH1A1 (0.83) —
Catechol SCHEMBL28550370 0.96 ALDH1A1 (0.83) —
Catechol SCHEMBL11319346 0.96 ALDH1A1 (0.83) —
Catechol SCHEMBL27394877 0.96 CA2 (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
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