Nonane

Nonane

SCHEMBL2961102

CCCCCCCCC.Cl

nearest known ligand 0.89

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 Nonane. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.89
THRB P10828 1/20 0.89
DNM1 Q05193 8/20 0.64
LMNA P02545 3/20 0.60
ALDH1A1 P00352 3/20 0.57
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
HSD17B10 Q99714 1/20 0.57
SLC22A1 O15245 1/20 0.57

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

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
Dodecane SCHEMBL3040512 1.00 TSHR (0.89) TSHRTHRBDNM1LMNAALDH1A1
Hexadecane SCHEMBL5510405 1.00 TSHR (0.89) TSHRTHRBDNM1LMNAALDH1A1
Octane SCHEMBL8645563 1.00 TSHR (0.89) TSHRTHRBDNM1LMNAALDH1A1
Octane SCHEMBL9775406 1.00 TSHR (0.89) TSHRTHRBDNM1LMNAALDH1A1
Decane SCHEMBL10448068 1.00 TSHR (0.89) TSHRTHRBDNM1LMNAALDH1A1
Nonane SCHEMBL3814127 1.00 TSHR (0.89) TSHRTHRBDNM1LMNAALDH1A1
Decane SCHEMBL7183338 1.00 TSHR (0.89) TSHRTHRBDNM1LMNAALDH1A1
Octane SCHEMBL8167210 1.00 TSHR (0.89) TSHRTHRBDNM1LMNAALDH1A1
Heptane SCHEMBL694283 1.00
Heptane SCHEMBL3638943 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 273 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025002452-A1 LIQUID ORGANIC COMPOSITION FOR LITHIUM EXTRACTION, AND PREPARATION METHOD THEREFOR 北京索特莱克科技发展有限公司 2025-01-02 WO claimed
CN-118080011-A Catalyst for preparing methanol by hydrogenation of carbon dioxide, preparation method and application thereof 国家能源集团新能源技术研究院有限公司 2024-05-28 CN claimed
CN-115417850-B Application of catalyst containing spiro-cyclic compound in catalyzing reaction of epoxy compound and carbon dioxide 深圳新宙邦科技股份有限公司 2023-04-18 CN claimed
CN-115417850-A Application of catalyst containing spiro-cyclic compound in catalyzing reaction of epoxy compound and carbon dioxide 深圳新宙邦科技股份有限公司 2022-12-02 CN claimed
CN-211800670-U Granulator is used in production of nonane hydrochloride 长兴中昊化工有限公司 2020-10-30 CN claimed
CN-210719363-U Weighing device is used in production of heterocyclononane hydrochloride 沙洋秦江化工有限公司 2020-06-09 CN claimed
CN-210619105-U Storage device is used in production of heterocyclononane hydrochloride 沙洋秦江化工有限公司 2020-05-26 CN claimed
CN-210592519-U A packing apparatus for hetercyclononane hydrochloride 沙洋秦江化工有限公司 2020-05-22 CN claimed
CN-102784149-B 5-aryl-9-alkyl-4,6-dioxo-1-aza-bicyclo[3.3.1]nonane and application of salt thereof UNIV HUNAN 2013-08-28 CN claimed
CN-102784149-A 5-aryl-9-alkyl-4,6-dioxo-1-aza-bicyclo[3.3.1]nonane and application of salt thereof UNIV HUNAN 2012-11-21 CN claimed
CN-101418003-B 5-aryl-9-alkyl-4,6-dioxo-1-aza-bicyclo[3.3.1]nonane hydrochloride and preparation method thereof UNIV HUNAN 2012-01-25 CN claimed
CN-101910170-A (1,4-diazabicyclo [3.2.2] ninth of the ten Heavenly Stems-6-alkene-4-yl)-heterocyclic radical-ketone part that is used for the treatment of the nicotinic acetylcholine receptor of disease MEMORY PHARM CORP 2010-12-08 CN claimed
CN-101418003-A 5-aryl-9-alkyl-4,6-dioxo-1-aza-bicyclo[3.3.1]nonane hydrochloride and preparation method thereof UNIV HUNAN (CN) 2009-04-29 CN claimed
US-20250066359-A1 SOMATOSTATIN RECEPTOR SUBTYPE 5 ANTAGONISTS, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) 2025-02-27 US disclosed
WO-2025002452-A1 LIQUID ORGANIC COMPOSITION FOR LITHIUM EXTRACTION, AND PREPARATION METHOD THEREFOR 北京索特莱克科技发展有限公司 2025-01-02 WO disclosed
WO-2024140690-A1 INTERMEDIATES OF SONROTOCLAX AND THE METHOD OF PREPARING THE SAME BEIGENE (SUZHOU) CO., LTD. (CN) 2024-07-04 WO disclosed
EP-0001644-A1 N-substituted mercaptoacetamidines and pharmaceutical composition containing the same MERCK & CO. INC. (US) 1979-05-02 EP disclosed
US-4144271-A IMMUNOREGULANTS MERCK & CO., INC. (US) 1979-03-13 US disclosed
US-4087550-A Hydroxylated amine thioethers for improving the greasy and unaesthetic appearance of the hair and skin L'OREAL (FR) 1978-05-02 US disclosed
US-3968218-A Cosmetic composition containing a hydroxylated amino thioether for application to the hair and skin L'OREAL (FR) 1976-07-06 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20250066359-A1 SOMATOSTATIN RECEPTOR SUBTYPE 5 ANTAGONISTS, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF SSTR5, SSTR2, SSTR3 TSHR 40/4885THRB 99/4885DNM1 4250/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.