Toluene

Toluene

SCHEMBL180839

Cc1ccccc1.Cl

nearest known ligand 0.00

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO

The experimentally established mechanism targets of Toluene. 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
Toluene SCHEMBL7163752 1.00 ACHE (0.92)
Toluene SCHEMBL28075366 1.00 ACHE (0.92)
Toluene SCHEMBL27418872 1.00 ACHE (0.92)
Toluene SCHEMBL27277296 1.00 ACHE (0.92)
Toluene SCHEMBL2592273 1.00
Toluene SCHEMBL7591772 1.00 ACHE (0.92)
Toluene SCHEMBL27372731 1.00 ACHE (0.92)
Toluene SCHEMBL522792 1.00 ACHE (0.92)
Toluene SCHEMBL28251042 1.00 ACHE (0.92)
Toluene SCHEMBL14953876 0.96 ACHE (0.85)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120156140-A Composite solid wheel and preparation method thereof 株洲时代新材料科技股份有限公司 2025-06-17 CN claimed
CN-119386649-B Acid-base washing circulation system for pretreatment of p-chlorotoluene tail gas adsorption equipment 江苏煌灿科技有限公司 2025-05-09 CN claimed
CN-116262949-B Rare earth extractant and method for separating yttrium from heavy rare earth by using rare earth extractant 厦门稀土材料研究所 2025-04-08 CN claimed
CN-119661767-A Divinylbenzene-acryloyl chloride random copolymer, modified aluminum nitride and heat-conducting composite material and preparation method thereof 西北工业大学 2025-03-21 CN claimed
CN-117403467-A Preparation method of bamboo fiber water-repellent breathable paper 中国制浆造纸研究院有限公司 2024-01-16 CN claimed
CN-220047115-U Heavy-duty removal tower for toluene chloride production 安徽海华科技集团有限公司 2023-11-21 CN claimed
CN-220047655-U Hydrochloric acid absorption tower for toluene chloride production 安徽海华科技集团有限公司 2023-11-21 CN claimed
CN-114276305-B Trisubstituted phenyl-1, 2, 4-triazole derivative, preparation method thereof and application thereof in treatment of neuronal injury 中山大学 2023-11-17 CN claimed
CN-219771768-U Aeration type hydrochloric acid recovery system for toluene chloride production 安徽海华科技集团有限公司 2023-09-29 CN claimed
CN-219518375-U Hydrochloric acid tail gas absorbing device for producing toluene chloride 安徽海华科技集团有限公司 2023-08-15 CN claimed
JP-2012500187-A 2012-01-05 JP claimed
EP-2310352-A2 PROCESS FOR PREPARING CINACALCET AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF Ind-Swift Laboratories Limited (IN) 2011-04-20 EP claimed
WO-2010004588-A2 PROCESS FOR PREPARING CINACALCET AND PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF IND-SWIFT LABORATORIES LIMITED (IN) 2010-01-14 WO claimed
WO-2009034582-A2 PROCESS FOR THE PREPARATION OF AMORPHOUS FEXOFENADINE HYDROCHLORIDE IND-SWIFT LABORATORIES LIMITED (IN) 2009-03-19 WO claimed
US-6670472-B2 Reacting 10-methoxyiminostilbene with cyanic acid (HOCN) in a solvent therefor in the presence of a mild acidic reagent to produce 10-methoxycarbamazepine MAX INDIA LIMITED (IN) 2003-12-30 US claimed
US-20030105076-A1 Process for the preparation of 10-methoxycarbamazepine JUBILANT ORGANOSYS LTD (IN) 2003-06-05 US claimed
EP-1302464-A1 Process for preparation of 10-methoxycarbamazepine Max India Limited (IN) 2003-04-16 EP claimed
EP-1073470-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING COMPOUNDS WITH ACTIVITY FOR THE ENHANCEMENT OF ABSORPTION OF ACTIVE INGREDIENTS INPHARMA S.A. (CH) 2001-02-07 EP claimed
WO-2000048636-A1 PHARMACEUTICAL COMPOSITIONS CONTAINING COMPOUNDS WITH ACTIVITY FOR THE ENHANCEMENT OF ABSORPTION OF ACTIVE INGREDIENTS INPHARMA S.A. (CH) 2000-08-24 WO claimed
CN-1223992-A Process for adsorption desulfuration of chlorinated solution of monochlorotoluene DANYANG CHEM PLANT (CN) 1999-07-28 CN claimed