Tert-Butanol

Tert-Butanol

SCHEMBL4592834

CC(C)(C)O.O.O

nearest known ligand 0.00

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Known targets — ChEMBL curated mechanism

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

The experimentally established mechanism targets of Tert-Butanol. 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
Tert-Butanol SCHEMBL748090 1.00
Tert-Butanol SCHEMBL11102479 1.00 ALDH1A1 (0.42)
Tert-Butanol SCHEMBL15348135 1.00 ALDH1A1 (0.42)
Tert-Butanol SCHEMBL27793425 0.94
Tert-Butanol SCHEMBL27784812 0.94
Tert-Butanol SCHEMBL10822057 0.94
Tert-Butanol SCHEMBL28116329 0.94
Tert-Butanol SCHEMBL6131619 0.94
Tert-Butanol SCHEMBL28208487 0.94
Tert-Butanol SCHEMBL282 0.93

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1909758-A1 PROCESS FOR THE PREPARATION OF LIPOSOMAL FORMULATIONS I.D.M. IMMUNO-DESIGNED MOLECULES (FR) 2008-04-16 EP claimed
WO-2007014754-A1 PROCESS FOR THE PREPARATION OF LIPOSOMAL FORMULATIONS I.D.M. IMMUNO-DESIGNED MOLECULES (FR) 2007-02-08 WO claimed
US-20240108685-A1 ORAL LIPOSOMAL COMPOSITIONS RENAULT JEAN YVES (FR) 2024-04-04 US disclosed
EP-4284332-A1 ORAL LIPOSOMAL COMPOSITIONS Renault, Jean-Yves (FR) 2023-12-06 EP disclosed
CN-116981441-A Oral liposome compositions 让-伊夫·雷诺特 2023-10-31 CN disclosed
WO-2022162131-A1 ORAL LIPOSOMAL COMPOSITIONS RENAULT, Jean-Yves (FR) 2022-08-04 WO disclosed
CN-102391167-B Method for preparing tert-butyl hydrogen peroxide and tert-butyl alcohol by oxidating isobutane UNIV XIANGTAN 2013-11-27 CN disclosed
CN-101857563-B Preparation method of mixture containing tert-butyl hydroperoxide CHINASUN SPECIALTY PRODUCTS CO LTD 2012-05-02 CN disclosed
CN-102391167-A Method for preparing tert-butyl hydrogen peroxide and tert-butyl alcohol by oxidating isobutane UNIV XIANGTAN 2012-03-28 CN disclosed
CN-101857563-A Preparation method for mixture containing tert-butyl hydroperoxide CHINASUN SPECIALTY PRODUCTS CO LTD 2010-10-13 CN disclosed
EP-1909758-A1 PROCESS FOR THE PREPARATION OF LIPOSOMAL FORMULATIONS I.D.M. IMMUNO-DESIGNED MOLECULES (FR) 2008-04-16 EP disclosed
WO-2007014754-A1 PROCESS FOR THE PREPARATION OF LIPOSOMAL FORMULATIONS I.D.M. IMMUNO-DESIGNED MOLECULES (FR) 2007-02-08 WO disclosed