Known targets — ChEMBL curated mechanism
ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO
The experimentally established mechanism targets of 1,4-Butanediol. 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 | |
|---|---|---|---|---|
| 1,6-Hexanediol SCHEMBL15299936 | 0.94 | — | — | |
| 1,5-Pentanediol SCHEMBL3955425 | 0.94 | — | — | |
| 1,4-Butanediol SCHEMBL18642519 | 0.94 | SMN1; SMN2 (0.58) | — | |
| 1,4-Butanediol SCHEMBL30932429 | 0.94 | — | — | |
| 1,4-Butanediol SCHEMBL18642509 | 0.94 | SMN1; SMN2 (0.58) | — | |
| 1,4-Butanediol SCHEMBL15086 | 0.94 | — | — | |
| 1,4-Butanediol SCHEMBL324322 | 0.94 | SMN1; SMN2 (0.58) | — | |
| SCHEMBL25302278 | 0.88 | TSHR (0.61) | — | |
| 1,4-Butanediol SCHEMBL21630075 | 0.88 | TSHR (0.61) | — | |
| SCHEMBL21462773 | 0.88 | TSHR (0.61) | — |
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 41 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106398628-A | Quick-drying waterproof type polyurethane adhesive | 湖北创鑫聚氨酯材料有限公司 | 2017-02-15 | — | — | CN | claimed |
| CN-1272362-C | Oxytetramethylene glycol copolymer and process for producing the same | ASAHI CHEMICAL IND (JP) | 2006-08-30 | — | — | CN | claimed |
| CN-1726248-A | preparation of tetrahydrofuran copolymers | BASF AG (DE) | 2006-01-25 | — | — | CN | claimed |
| CN-1486337-A | Oxytetramethylene glycol copolymer and process for producing the same | ������������ʽ���� | 2004-03-31 | — | — | CN | claimed |
| CN-114892432-B | Method for preparing patterned photonic crystal structure chromogenic fabric by ink-jet printing technology | 浙江理工大学 | 2024-06-25 | — | — | CN | disclosed |
| CN-113861089-B | Separation and purification method of vitamin A acetate | 万华化学集团股份有限公司 | 2023-12-19 | — | — | CN | disclosed |
| CN-116899374-A | Phase-change type flue gas CO based on absorbent double-solvent circulation 2 Trapping method and system | 浙江省白马湖实验室有限公司 | 2023-10-20 | — | — | CN | disclosed |
| CN-113527739-A | Release film for leather and preparation method thereof | 瑞泰铸纸(东莞)有限公司 | 2021-10-22 | — | — | CN | disclosed |
| CN-113445362-A | Leather matte high-temperature release paper and preparation method thereof | 瑞泰铸纸(东莞)有限公司 | 2021-09-28 | — | — | CN | disclosed |
| CN-110234708-A | Polycarbonate resin composition | 出光兴产株式会社 | 2019-09-13 | — | — | CN | disclosed |
| CN-105696101-B | The high strength fabric being made of thin gauge constant compression elastomer | 路博润高级材料公司 | 2019-07-16 | — | — | CN | disclosed |
| CN-107112596-B | Non-aqueous electrolyte secondary battery and its manufacturing method | 日产自动车株式会社 | 2019-06-28 | — | — | CN | disclosed |
| CN-1455735-A | Composition and process for producing the same | DAICEL DEGUSSA LTD (JP) | 2003-11-12 | — | — | CN | disclosed |
| CN-1455734-A | Composite material and method for preparation thereof | DAICEL DEGUSSA LTD (JP) | 2003-11-12 | — | — | CN | disclosed |
| US-6322898-B1 | ACMITE PASSIVATION COATING FORMED BY HEATING A FERROUS WORKPIECE IN AN AQUEOUS TREATMENT BATH COMPRISING NAOH, SIO2 AND A WATER-SOLUBLE GLYCOL AT A TEMPERATURE ABOVE 160 DEGREES C. | RUTGERS, THE STATE UNIVERSITY | 2001-11-27 | — | — | US | disclosed |
| US-6159552-A | Inorganic conversion coatings for ferrous substrate | RUTGERS, THE STATE UNIVERSITY (US) | 2000-12-12 | — | — | US | disclosed |
| WO-2000042237-A1 | INORGANIC CONVERSION COATINGS FOR FERROUS SUBSTRATES | RUTGERS, THE STATE UNIVERSITY (US) | 2000-07-20 | — | — | WO | disclosed |
| CN-1259970-A | Process for polymerization of cyclic ethers | BASF AG (DE) | 2000-07-12 | — | — | CN | disclosed |
| US-4176239-A | POLYURETHANE | N L INDUSTRIES, INC. (US) | 1979-11-27 | — | — | US | disclosed |
| US-3957887-A | HEATING 4-HYDROXY-2,4,6-TRIMETHYL-2,5-CYCLOHEXADIENE-1-ONE IN H2O OR METHANOL | TEIJIN LIMITED (JA) | 1976-05-18 | — | — | US | disclosed |