Butane

Butane

SCHEMBL465278

CCCC.Cl.Cl.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 Butane. 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
Butane SCHEMBL28863388 1.00 TSHR (0.44)
Butane SCHEMBL4362011 1.00 TSHR (0.44)
Butane SCHEMBL27927071 1.00 TSHR (0.44)
Butane SCHEMBL5851369 1.00
Butane SCHEMBL18039280 1.00
Butane SCHEMBL814744 1.00
Butane SCHEMBL12504128 0.93
Butane SCHEMBL3109038 0.93
Butane SCHEMBL10400622 0.93 TSHR (0.40)
Butane SCHEMBL2860854 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 33 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0216703-B1 CONDUCTING AND TRANSPARENT SUBSTRATE FOR A PHOTOELECTRIC ELEMENT SAINT-GOBAIN VITRAGE INTERNATIONAL (FR) 1992-01-22 EP claimed
US-5032319-A Tin chloride, tin fluoroborate TH. GOLDSCHMIDT AG (DE) 1991-07-16 US claimed
US-4540744-A LEWIS BASE, BUTYLLITHIUM, COUPLING WITH TIN, VULCANIZING BRIDGESTONE TIRE COMPANY LIMITED (JP) 1985-09-10 US claimed
US-4519431-A COUPLED WITH A TIN HALIDE COMPOUND FOR USE IN RADIAL TIRES BRIDGESTONE TIRE COMPANY LIMITED (JP) 1985-05-28 US claimed
EP-3168202-B1 LAMINATED GLASS ZEON CORP (JP) 2024-06-05 EP disclosed
WO-2023238855-A1 TWO-COMPONENT MIXED POLYUREA RESIN COMPOSITION PRODUCTION RAW MATERIAL AND POLYUREA RESIN COMPOSITION ユニチカ株式会社 2023-12-14 WO disclosed
CN-110446751-B Thermoplastic elastomer for carbon fiber reinforced plastic adhesive lamination 安姆希比创新咨询有限公司 2023-01-10 CN disclosed
US-20190248114-A1 LAMINATED GLASS ZEON CORPORATION (JP) 2019-08-15 US disclosed
US-10328674-B2 Laminated glass ZEON CORPORATION (JP) 2019-06-25 US disclosed
CN-105503879-B A kind of method of immobilization albumen 北京大学深圳研究生院 2018-06-12 CN disclosed
US-20170151757-A1 LAMINATED GLASS ZEON CORPORATION (JP) 2017-06-01 US disclosed
EP-3168202-A1 LAMINATED GLASS Zeon Corporation (JP) 2017-05-17 EP disclosed
EP-0089839-B2 BRANCHED STYRENE-BUTADIENE COPOLYMERS AND PNEUMATIC TIRES USING THE SAME BRIDGESTONE TIRE COMPANY LIMITED (JP) 1992-01-02 EP disclosed
EP-0089839-B1 BRANCHED STYRENE-BUTADIENE COPOLYMERS AND PNEUMATIC TIRES USING THE SAME BRIDGESTONE TIRE COMPANY LIMITED (JP) 1987-11-25 EP disclosed
US-4603722-A COUPLING TO TIN HALIDE, BLENDED WITH NATURAL RUBBER OR POLYISOPRENE; IMPROVED ROLLING AND FRACTURE RESISTANCE BRIDGESTONE TIRE COMPANY (JP) 1986-08-05 US disclosed
US-4575534-A EXCELLENT REBOUND RESILIENCE AND PROCESSABILITY BRIDGESTONE TIRE COMPANY LIMITED (JP) 1986-03-11 US disclosed
US-4540744-A LEWIS BASE, BUTYLLITHIUM, COUPLING WITH TIN, VULCANIZING BRIDGESTONE TIRE COMPANY LIMITED (JP) 1985-09-10 US disclosed
US-4526934-A Prepared by polymerizing styrene and butadiene in the presence of ether or tertiary amine and organolithium compound BRIDGESTONE TIRE COMPANY LIMITED (JP) 1985-07-02 US disclosed
US-4519431-A COUPLED WITH A TIN HALIDE COMPOUND FOR USE IN RADIAL TIRES BRIDGESTONE TIRE COMPANY LIMITED (JP) 1985-05-28 US disclosed
EP-0089839-A1 Branched styrene-butadiene copolymers and pneumatic tires using the same BRIDGESTONE TIRE COMPANY LIMITED (JP) 1983-09-28 EP disclosed