Known targets — ChEMBL curated mechanism
ABL1ACEACHEACVR1ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALKAVPR1AAVPR2BCHEBCRCA2CACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCASRCCR5CDK4CDK6CFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNA3CHRNA7CHRNB1CHRNB4CHRNDCHRNECHRNGCOXFA4COXFA4L2CRBNCSF1RCUL4ACYP19A1DDB1DPP4DRD1DRD2DRD3DRD4EDNRAEGFREML4ERBB2ERBB4ESR1ESR2FGFR1FGFR3FLT1FLT3FLT4GAAGABRA1GABRA2GABRA3GABRA4GABRA5GABRA6GABRB1GABRB2GABRB3GABRDGABREGABRG1GABRG2GABRG3GABRPGABRQGHSRGLAGNRHRGPD2GRIN1GRIN2AGRIN2BGRIN2CGRIN2DGRIN3AGRIN3BGSTP1HCN4HCRTR1HCRTR2HDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HRH2HRH3HSD11B1HSP90AA1HSP90AB1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IMPDH1IMPDH2ITGA2BITGB3ITKJAK1JAK2KCNA1KCNA10KCNA2KCNA3KCNA4KCNA5KCNA6KCNA7KCNB1KCNB2KCNC1KCNC2KCNC3KCNC4KCND1KCND2KCND3KCNF1KCNG1KCNG2KCNG3KCNG4KCNH1KCNH2KCNH3KCNH4KCNH5KCNH6KCNH7KCNH8KCNJ2KCNJ3KCNJ5KCNK3KCNK9KCNQ1KCNQ2KCNQ3KCNQ4KCNQ5KCNS1KCNS2KCNS3KCNV1KCNV2KDRKITKLKB1LCKMMAOAMAOBMAPK14METMMP1MMP13MMP7MMP8MT-ND1MT-ND2MT-ND3MT-ND4MT-ND4LMT-ND5MT-ND6NDUFA1NDUFA10NDUFA11NDUFA12NDUFA13NDUFA2NDUFA3NDUFA5NDUFA6NDUFA7NDUFA8NDUFA9NDUFAB1NDUFAF1NDUFAF2NDUFAF3NDUFAF4NDUFB1NDUFB10NDUFB11NDUFB2NDUFB3NDUFB4NDUFB5NDUFB6NDUFB7NDUFB8NDUFB9NDUFC1NDUFC2NDUFS1NDUFS2NDUFS3NDUFS4NDUFS5NDUFS6NDUFS7NDUFS8NDUFV1NDUFV2NDUFV3NR3C1NS5ANTRK1NTRK2NTRK3ODC1OPRD1OPRK1OPRM1P2RY12PAHPARP1PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDE5APDE7APDE7BPDE8APDE8BPDGFRAPDGFRBPIK3CAPIK3CDPNPPOLA1POLA2POLD1POLD2POLD3POLD4POLEPOLE2POLE3PPARGPRIM1PRIM2PRKCAPRKCBPRKCDPRKCEPRKCGPRKCHPRKCIPRKCQPRKCZPRKD1PRKD3PTGS1PTGS2RBX1RENRETROCK1ROCK2RPE65RRM1RRM2RRM2BS1PR1S1PR2S1PR3S1PR4S1PR5SCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC18A2SLC6A1SLC6A2SLC6A3SLC6A4SLC9A3SRCTACR1TOP1TOP2ATOP2BTTRTYMPdacAdacBdacCembAfolAftsIgyrAgyrBmrcAmrcBmrdAparCparEpolrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Ether. 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 | |
|---|---|---|---|---|
| Ether SCHEMBL11803367 | 0.95 | ALDH1A1 (0.39) | — | |
| Ether SCHEMBL87495 | 0.95 | — | — | |
| Ether SCHEMBL6583368 | 0.95 | — | — | |
| Ether SCHEMBL7116616 | 0.95 | — | — | |
| Ether SCHEMBL18045059 | 0.95 | — | — | |
| Ether SCHEMBL8322124 | 0.95 | ALDH1A1 (0.44) | — | |
| Ether SCHEMBL17390026 | 0.95 | ALDH1A1 (0.44) | — | |
| Ether SCHEMBL2877596 | 0.95 | — | — | |
| Ether SCHEMBL3620984 | 0.90 | — | — | |
| Ether SCHEMBL8772802 | 0.90 | — | — |
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 11 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1299399-A4 | CONVERSION OF COMPOUNDS OF TITANIUM IN A PLUS 4 OXIDATION STATE TO TITANIUM COMPOUNDS IN A PLUS 3 OXIDATION STATE | BOULDER SCIENT CO (US) | 2007-05-23 | — | — | EP | claimed |
| EP-1299399-A2 | CONVERSION OF COMPOUNDS OF TITANIUM IN A PLUS 4 OXIDATION STATE TO TITANIUM COMPOUNDS IN A PLUS 3 OXIDATION STATE | BOULDER SCIENTIFIC COMPANY (US) | 2003-04-09 | — | — | EP | claimed |
| WO-2002066518-A2 | CONVERSION OF TITANIUM COMPOUNDS IN THE +4 OXIDATION STATE T O TITANIUM COMPOUNDS IN THE +3 OXIDATION STATE | BOULDER SCIENTIFIC COMPANY (US) | 2002-08-29 | — | — | WO | claimed |
| US-6307063-B1 | CONVERSION OF THE TI(III) PRODUCTS TO METALLOCENES | BOULDER SCIENTIFIC COMPANY | 2001-10-23 | — | — | US | claimed |
| US-4151337-A | CATALYST COMPRISES ORGANOALUMINUM COMPOUND AND PRODUCT OF REACTING ETHER COMPLEXES OF VANADIUM AND TITANIUM TRICHLORIDE WITH HALIDE OF ALUMINUM AND/OR BORON | MITSUBISHI CHEMICAL INDUSTRIES LTD. (JP) | 1979-04-24 | — | — | US | claimed |
| US-4305920-A | FOR POLYMERIZATION CATALYST | MITSUBISHI CHEMICAL INDUSTRIES, LTD. (JP) | 1981-12-15 | — | — | US | disclosed |
| US-4151337-A | CATALYST COMPRISES ORGANOALUMINUM COMPOUND AND PRODUCT OF REACTING ETHER COMPLEXES OF VANADIUM AND TITANIUM TRICHLORIDE WITH HALIDE OF ALUMINUM AND/OR BORON | MITSUBISHI CHEMICAL INDUSTRIES LTD. (JP) | 1979-04-24 | — | — | US | disclosed |
| US-4151337-A | CATALYST COMPRISES ORGANOALUMINUM COMPOUND AND PRODUCT OF REACTING ETHER COMPLEXES OF VANADIUM AND TITANIUM TRICHLORIDE WITH HALIDE OF ALUMINUM AND/OR BORON | MITSUBISHI CHEMICAL INDUSTRIES LTD. (JP) | 1979-04-24 | — | — | US | disclosed |
| US-4115533-A | REDUCING TITANIUM TETRACHLORIDE WITH AN ORGANIC ALUMINUM COMPOUND | MITSUBISHI CHEMICAL INDUSTRIES, LTD. (JP) | 1978-09-19 | — | — | US | disclosed |
| US-4115532-A | LEWIS ACIDS, HEATING, PRECIPITATION | MITSUBISHI CHEMICAL INDUSTRIES, LTD. (JP) | 1978-09-19 | — | — | US | disclosed |
| US-4060593-A | Preparation of titanium trichloride | MITSUBISHI CHEMICAL INDUSTRIES (JA) | 1977-11-29 | — | — | US | disclosed |