Known targets — ChEMBL curated mechanism
ABCC9ABL1ACEACHEACVR1ADORA1ADORA2AADORA2BADORA3ADRA1AADRA1BADRA1DADRA2AADRA2BADRA2CADRB1ADRB2ADRB3AGTR1ALOX5ATP4AATP4BBCRBTKCACNA1ACACNA1BCACNA1CCACNA1DCACNA1ECACNA1FCACNA1GCACNA1HCACNA1ICACNA1SCACNA2D1CACNA2D2CACNA2D3CACNA2D4CACNB1CACNB2CACNB3CACNB4CACNG1CACNG2CACNG3CACNG4CACNG5CACNG6CACNG7CACNG8CALCRLCFBCHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGCRBNCUL4ACXCR1CXCR2DDB1DDCDHFRDPP4DRD2DRD3DRD4EGFRERBB2ERBB4ESR1ESR2FDPSFKBP1AFLT1FLT3FLT4GARTGHSRGRIA1GRIA2GRIA3GRIA4GRIK1GRIK2GRIK3GRIK4GRIK5GRIN2AGSK3AGSK3BHDAC1HDAC10HDAC11HDAC2HDAC3HDAC4HDAC5HDAC6HDAC7HDAC8HDAC9HRH1HTR1AHTR1BHTR1DHTR1EHTR1FHTR2AHTR2BHTR2CHTR3AHTR3BHTR3CHTR3DHTR3EHTR4HTR5AHTR6HTR7IDH1IDH2IMPA1ITGA2BITGB3JAK1JAK2JAK3KCNJ11KCNK3KCNK9KDRKITMEN1METMMP1MMP13MMP7MMP8NANOD2NS5bODC1OPG057OPRD1OPRK1OPRM1PPARP1PARP2PDE3APDE3BPDE4APDE4BPDE4CPDE4DPDGFRBPIK3CAPIK3CBPIK3CDPIK3CGPIK3R1PIK3R2PIK3R3PIK3R5PKLRPPARDPPATPTGS1PTGS2RBX1ROCK1ROCK2RRM1RRM2RRM2BSCN10ASCN11ASCN1ASCN2ASCN3ASCN4ASCN5ASCN7ASCN8ASCN9ASCNN1ASCNN1BSCNN1GSIGMAR1SLC10A2SLC5A2SLC6A2SLC6A3SLC6A4SLC9A3SYKTACR1THRATHRBTOP1TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8TYK2TYMSVDRampCblablaT-3blaT-4blaT-5blaT-6blaUOE-1dacAdacBdacCfolAfolPftsIgyrAgyrBileSmecAmrcAmrcBmrdAparCparEpbp2pbp4pbpApbpFrplArplBrplCrplDrplErplFrplIrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmE2rpmFrpmGrpmG1rpmG2rpmG3rpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUthyAykgMykgO
The experimentally established mechanism targets of Butyl Alcohol. 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 Alcohol SCHEMBL601846 | 1.00 | — | — | |
| Octanol SCHEMBL28798465 | 0.92 | ALDH1A1 (0.68) | — | |
| 1-Pentanol SCHEMBL1996339 | 0.91 | — | — | |
| 1-Pentanol SCHEMBL27663694 | 0.91 | SMN1; SMN2 (0.71) | — | |
| Butyl Alcohol SCHEMBL28328341 | 0.89 | ALDH1A1 (0.55) | — | |
| Butyl Alcohol SCHEMBL8968575 | 0.89 | ALDH1A1 (0.55) | — | |
| 1-Hexanol SCHEMBL15874705 | 0.88 | LMNA (0.72) | — | |
| 1-Heptanol SCHEMBL28112955 | 0.88 | LMNA (0.72) | — | |
| Butyl Alcohol SCHEMBL27862550 | 0.88 | — | — | |
| Butyl Alcohol SCHEMBL16816905 | 0.87 | ALDH1A1 (0.52) | — |
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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-RE31730-E | Process for the preparation of the crystalline monohydrate of 7-(D-α-aα-(p-hydroxyphenyl)acetamido)-3-methyl-3-cephem-4-carboxylic acid | BRISTOL-MYERS COMPANY (US) | 1984-11-13 | — | — | US | claimed |
| US-4234721-A | Process for the preparation of the crystalline monohydrate of 7-[D-amino-(p-hydroxyphenyl]acetamido)-3-methyl-3-cephen-4-carboxylic acid | BRISTOL-MYERS COMPANY (US) | 1980-11-18 | — | — | US | claimed |
| US-4160863-A | ANTIBIOTIC | BRISTOL-MYERS COMPANY (US) | 1979-07-10 | — | — | US | claimed |
| CN-117871716-A | Method for detecting ethyl carbamate in liquid seasoning | 湖州市食品药品检验研究院(湖州市药品和医疗器械不良反应监测中心、湖州市医疗器械监督检验中心、湖州市食品认证审评和粮油质量监测中心) | 2024-04-12 | — | — | CN | disclosed |
| CN-108864224-A | A kind of isolation and purification method of high mallow element -3-O- Arabinoside and its application | 浙江大学 | 2018-11-23 | — | — | CN | disclosed |
| CN-108822168-A | A kind of isolation and purification method of high mallow element -3-O- galactoside and its application | 浙江大学 | 2018-11-16 | — | — | CN | disclosed |
| CN-108517000-A | A kind of method that separation prepares petunidin -3-O- Arabinosides | 浙江大学 | 2018-09-11 | — | — | CN | disclosed |
| CN-108516999-A | A kind of method that separation prepares petunidin -3-O- galactosides | 浙江大学 | 2018-09-11 | — | — | CN | disclosed |
| CN-108409806-A | A kind of method that separation prepares petunidin -3-O- glucosides | 浙江大学 | 2018-08-17 | — | — | CN | disclosed |
| CN-108409805-A | A kind of isolation and purification method of delphinidin -3-O- galactosides and its application | 浙江大学 | 2018-08-17 | — | — | CN | disclosed |
| CN-108409807-A | A method of separation prepares high mallow element -3-O- glucosides | 浙江大学 | 2018-08-17 | — | — | CN | disclosed |
| EP-0698041-B1 | SYNTHETIC AGLUCODALBAHEPTIDE ANTIBIOTICS | BIOSEARCH ITALIA SPA (IT) | 1997-10-22 | — | — | EP | disclosed |
| US-5674840-A | Synthetic aglucodalbaheptide antibiotics | GRUPPO LEPETIT SPA (IT) | 1997-10-07 | — | — | US | disclosed |
| US-5644025-A | AGLYCON DALBAHEPTIDE ANTIBIOTICS FOR CYCLIC TETRAPEPTIDES FOR BACTERICIDES | GRUPPO LEPETIT SPA (IT) | 1997-07-01 | — | — | US | disclosed |
| EP-0698041-A1 | SYNTHETIC AGLUCODALBAHEPTIDE ANTIBIOTICS | LEPETIT SPA (IT) | 1996-02-28 | — | — | EP | disclosed |
| WO-1994026780-A1 | SYNTHETIC AGLUCODALBAHEPTIDE ANTIBIOTICS | GRUPPO LEPETIT S.P.A. (IT) | 1994-11-24 | — | — | WO | disclosed |
| US-4504657-A | Cephadroxil monohydrate | BRISTOL-MYERS COMPANY (US) | 1985-03-12 | — | — | US | disclosed |
| US-RE31730-E | Process for the preparation of the crystalline monohydrate of 7-(D-α-aα-(p-hydroxyphenyl)acetamido)-3-methyl-3-cephem-4-carboxylic acid | BRISTOL-MYERS COMPANY (US) | 1984-11-13 | — | — | US | disclosed |
| US-4234721-A | Process for the preparation of the crystalline monohydrate of 7-[D-amino-(p-hydroxyphenyl]acetamido)-3-methyl-3-cephen-4-carboxylic acid | BRISTOL-MYERS COMPANY (US) | 1980-11-18 | — | — | US | disclosed |
| US-4160863-A | ANTIBIOTIC | BRISTOL-MYERS COMPANY (US) | 1979-07-10 | — | — | US | disclosed |