Known targets — ChEMBL curated mechanism
ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Butyl Chloride. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Butyl Chloride SCHEMBL11601537 | 0.96 | — | — | |
| Butyl Chloride SCHEMBL27957220 | 0.96 | — | — | |
| Butyl Chloride SCHEMBL28113083 | 0.96 | — | — | |
| Butyl Chloride SCHEMBL10720283 | 0.96 | — | — | |
| Butyl Chloride SCHEMBL3694160 | 0.96 | — | — | |
| Butyl Chloride SCHEMBL421 | 0.96 | — | — | |
| Butyl Chloride SCHEMBL788825 | 0.96 | TSHR (1.00) | — | |
| Pentane SCHEMBL1142366 | 0.92 | TSHR (0.92) | — | |
| Butyl Chloride SCHEMBL7190937 | 0.92 | — | — | |
| Butyl Chloride SCHEMBL9318173 | 0.92 | TSHR (0.92) | — |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114315697-A | Preparation method of tirofiban hydrochloride | 河北国龙制药有限公司 | 2022-04-12 | — | — | CN | claimed |
| CN-106029631-B | Carboxylic acid derivatives and application thereof in preparing prodrugs | 李勤耕 | 2018-12-28 | — | — | CN | claimed |
| CN-106029631-A | Carboxylic acid derivatives and application thereof in preparing prodrugs | 李勤耕 | 2016-10-12 | — | — | CN | claimed |
| CN-114315697-A | Preparation method of tirofiban hydrochloride | 河北国龙制药有限公司 | 2022-04-12 | — | — | CN | disclosed |
| CN-114315697-A | Preparation method of tirofiban hydrochloride | 河北国龙制药有限公司 | 2022-04-12 | — | — | CN | disclosed |
| CN-110256269-A | A kind of water solubility Propofol analog derivative and application thereof | 江苏恩华络康药物研发有限公司 | 2019-09-20 | — | — | CN | disclosed |
| CN-109336807-A | A kind of palladium removing method of tirofiban hydrochloride preparation process | 无锡富泽药业有限公司 | 2019-02-15 | — | — | CN | disclosed |
| CN-106029631-B | Carboxylic acid derivatives and application thereof in preparing prodrugs | 李勤耕 | 2018-12-28 | — | — | CN | disclosed |
| CN-106132922-B | A kind of water solubility propofol derivative and application thereof | 江苏恩华络康药物研发有限公司 | 2018-12-04 | — | — | CN | disclosed |
| CN-108440393-A | Method for detecting impurities in tirofiban material impurity, impurity preparation and material | 成都倍特药业有限公司 | 2018-08-24 | — | — | CN | disclosed |
| CN-107922329-A | It is used to prepare the method and intermediate of water-soluble taxane analog derivative | 江苏恩华络康药物研发有限公司 | 2018-04-17 | — | — | CN | disclosed |
| CN-107810056-A | The ionic liquid-catalyzed alkylation of sulphur pollution | 雪佛龙美国公司 | 2018-03-16 | — | — | CN | disclosed |
| CN-107056767-A | Method and intermediate for preparing water-soluble taxane analog derivative | 江苏恩华络康药物研发有限公司 | 2017-08-18 | — | — | CN | disclosed |
| CN-107001302-A | One class water-soluble taxane analog derivative and application thereof | 江苏恩华络康药物研发有限公司 | 2017-08-01 | — | — | CN | disclosed |
| CN-106132922-A | One class water solublity propofol derivative and application thereof | 江苏恩华络康药物研发有限公司 | 2016-11-16 | — | — | CN | disclosed |
| CN-106029631-A | Carboxylic acid derivatives and application thereof in preparing prodrugs | 李勤耕 | 2016-10-12 | — | — | CN | disclosed |
| CN-102492048-A | Fracturing fluid thickening agent and fracturing fluid containing the same | CHINA PETROLEUM AND CHEMICAL KUNSHAN CO LTD | 2012-06-13 | — | — | CN | disclosed |
| US-5276025-A | Heterobicyclic sulfonamides | MERCK & CO., INC. (US) | 1994-01-04 | — | — | US | disclosed |