Known targets — ChEMBL curated mechanism
MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Alcohol. 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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Propane SCHEMBL4876307 | 0.92 | — | — | |
| SCHEMBL9027 | 0.91 | — | — | |
| SCHEMBL3475223 | 0.91 | — | — | |
| SCHEMBL9026 | 0.91 | — | — | |
| SCHEMBL10679392 | 0.91 | TSHR (0.39) | — | |
| Propionaldehyde SCHEMBL6357378 | 0.89 | ALDH1A1 (0.50) | — | |
| Ether SCHEMBL9127035 | 0.89 | HSD17B10 (0.32) | — | |
| SCHEMBL25341328 | 0.88 | — | — | |
| Methane SCHEMBL22130032 | 0.88 | — | — | |
| SCHEMBL9765097 | 0.88 | — | — |
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 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106458854-A | Efficient synthesis of amines and amides from alcohols and aldehydes by using cascade catalysis | 有机燃料瑞典公司 | 2017-02-22 | — | — | CN | claimed |
| US-5171875-A | Reacting boric acid with guerbet and/ or aldol alcohol or alcohol alkoxylates | LCE PARTNERSHIP (US) | 1992-12-15 | — | — | US | claimed |
| CN-114249718-A | Sulfonium salt derivative and preparation method and medical application thereof | 中国药科大学 | 2022-03-29 | — | — | CN | disclosed |
| US-10995049-B2 | Total synthesis of prostaglandin J natural products and their intermediates | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2021-05-04 | — | — | US | disclosed |
| US-20210017111-A1 | Total Synthesis Of Prostaglandin J Natural Products and Their Intermediates | CALIFORNIA INSTITUTE OF TECHNOLOGY | 2021-01-21 | — | — | US | disclosed |
| CN-106103399-B | Hydroformylation process | 陶氏技术投资有限责任公司 | 2019-07-09 | — | — | CN | disclosed |
| CN-108697609-A | Aerosol anti-dandruff compositions | 宝洁公司 | 2018-10-23 | — | — | CN | disclosed |
| CN-106317054-A | Alpha, beta-nonsaturated ketone derivative of enoxacin, preparation method and application thereof | 河南大学 | 2017-01-11 | — | — | CN | disclosed |
| CN-106316946-A | Alpha, beta-unsaturated ketone derivative of ciprofloxacin, preparation method of derivative, and application of derivative | 河南大学 | 2017-01-11 | — | — | CN | disclosed |
| CN-106256823-A | A kind of α of Gatifloxacin, alpha, beta-unsaturated ketone derivant and its preparation method and application | 河南大学 | 2016-12-28 | — | — | CN | disclosed |
| CN-106103399-A | Hydroformylation process | 陶氏技术投资有限责任公司 | 2016-11-09 | — | — | CN | disclosed |
| EP-0329670-A1 | A PROCESS FOR THE HYDROFORMYLATION OF SULFUR-CONTAINING THERMALLY CRACKED PETROLEUM RESIDUA AND NOVEL PRODUCTS THEREOF. | EXXON RESEARCH ENGINEERING CO (US) | 1989-08-30 | — | — | EP | disclosed |
| EP-0329670-A4 | A PROCESS FOR THE HYDROFORMYLATION OF SULFUR-CONTAINING THERMALLY CRACKED PETROLEUM RESIDUA AND NOVEL PRODUCTS THEREOF. | EXXON RESEARCH ENGINEERING CO (US) | 1989-08-16 | — | — | EP | disclosed |
| WO-1988002360-A1 | A PROCESS FOR THE HYDROFORMYLATION OF SULFUR-CONTAINING THERMALLY CRACKED PETROLEUM RESIDUA AND NOVEL PRODUCTS THEREOF | EXXON RESEARCH AND ENGINEERING COMPANY (US) | 1988-04-07 | — | — | WO | disclosed |
| US-4711968-A | PRODUCTION OF ALDEHYDES AND ALCOHOLS USING TRANSITION METAL CARBONYL COMPLEX CATALYSTS | EXXON RESEARCH & ENGINEERING CO. (US) | 1987-12-08 | — | — | US | disclosed |
| US-4598162-A | Detergent range aldehyde and alcohol mixtures and derivatives, and process therefor | MONSANTO COMPANY (US) | 1986-07-01 | — | — | US | disclosed |
| EP-0161251-A1 | DETERGENT RANGE ALDEHYDE AND ALCOHOL MIXTURES AND DERIVATIVES, AND PROCESS THEREFOR | MONSANTO COMPANY (US) | 1985-11-21 | — | — | EP | disclosed |
| WO-1985002175-A1 | DETERGENT RANGE ALDEHYDE AND ALCOHOL MIXTURES AND DERIVATIVES, AND PROCESS THEREFOR | MONSANTO COMPANY (US) | 1985-05-23 | — | — | WO | disclosed |
| US-4426542-A | HYDROFORMYLATION, ALDOL CONDENSATION, HYDROGENATION | MONSANTO COMPANY (US) | 1984-01-17 | — | — | US | disclosed |
| EP-0094456-A1 | Preparation of alcohols from olefins having from 3 to 7 carbon atoms | MONSANTO COMPANY (US) | 1983-11-23 | — | — | EP | disclosed |