Known targets — ChEMBL curated mechanism
MMP1MMP13MMP7MMP8polrplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Acetic Acid Methyl Ester. 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 | |
|---|---|---|---|---|
| Acetic Acid Methyl Ester SCHEMBL8854353 | 0.97 | ALDH1A1 (0.67) | — | |
| Acetic Acid Methyl Ester SCHEMBL28790699 | 0.97 | — | — | |
| Acetic Acid Methyl Ester SCHEMBL1578697 | 0.97 | ALDH1A1 (0.67) | — | |
| Acetic Acid Methyl Ester SCHEMBL28118680 | 0.97 | ALDH1A1 (0.67) | — | |
| Acetic Acid Methyl Ester SCHEMBL28852227 | 0.94 | ALDH1A1 (0.62) | — | |
| Acetic Acid Methyl Ester SCHEMBL27511456 | 0.89 | — | — | |
| Acetic Acid Methyl Ester SCHEMBL7121041 | 0.89 | — | — | |
| Acetic Acid Methyl Ester SCHEMBL467959 | 0.87 | — | — | |
| Acetic Acid Methyl Ester SCHEMBL260943 | 0.86 | — | — | |
| Acetic Acid Methyl Ester SCHEMBL2482712 | 0.86 | ALDH1A1 (0.71) | — |
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 83 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117917393-A | Method for separating and purifying 2, 6-naphthalene dicarboxylic acid | 中国石油化工股份有限公司 | 2024-04-23 | — | — | CN | claimed |
| CN-114478227-B | Method for preparing 2, 6-naphthalene dicarboxylic acid by using 2, 6-naphthalene dicarboxylic acid salt | 中国石油化工股份有限公司 | 2024-01-26 | — | — | CN | claimed |
| CN-115611723-A | Method for separating and purifying oleic acid from camellia seed oil | 湖南省林业科学院 | 2023-01-17 | — | — | CN | claimed |
| CN-114478227-A | Method for preparing 2, 6-naphthalenedicarboxylic acid by using 2, 6-naphthalenedicarboxylate | 中国石油化工股份有限公司 | 2022-05-13 | — | — | CN | claimed |
| CN-113717063-A | Preparation and purification method of tulobuterol | 北京泰德制药股份有限公司 | 2021-11-30 | — | — | CN | claimed |
| CN-107998112-B | Co-amorphous substance of curcumin-ursodeoxycholic acid and preparation method thereof | 沈阳药科大学 | 2020-03-17 | — | — | CN | claimed |
| CN-108707061-A | A kind of technique that methanol is used for methyl acetate ethyl alcohol | 太原理工大学 | 2018-10-26 | — | — | CN | claimed |
| WO-2005000045-A2 | ENERGY CARD AND ITS USE IN ALLEVIATION AND PREVENTION OF HARMFUL EFFECT CAUSED BY TOBACCO SMOKE | KLEVERNIC GORAN (YU) | 2005-01-06 | — | — | WO | claimed |
| CN-115215740-B | Method for separating and purifying 2, 6-naphthalene dicarboxylic acid and obtained 2, 6-naphthalene dicarboxylic acid | 中国石油化工股份有限公司 | 2024-06-28 | — | — | CN | disclosed |
| CN-117917393-A | Method for separating and purifying 2, 6-naphthalene dicarboxylic acid | 中国石油化工股份有限公司 | 2024-04-23 | — | — | CN | disclosed |
| CN-220513474-U | Methyl acetate, ethanol, benzofuran and water quaternary system separation device and extraction rectification system | 陕西煤业化工集团神木天元化工有限公司 | 2024-02-23 | — | — | CN | disclosed |
| CN-114478227-B | Method for preparing 2, 6-naphthalene dicarboxylic acid by using 2, 6-naphthalene dicarboxylic acid salt | 中国石油化工股份有限公司 | 2024-01-26 | — | — | CN | disclosed |
| CN-113717063-B | Preparation and purification method of tulobuterol | 北京泰德制药股份有限公司 | 2023-08-08 | — | — | CN | disclosed |
| CN-115611723-A | Method for separating and purifying oleic acid from camellia seed oil | 湖南省林业科学院 | 2023-01-17 | — | — | CN | disclosed |
| EP-0172029-B1 | 1,4-DIHYDROPYRIDINES | JOHN WYETH & BROTHER LIMITED (GB) | 1991-02-27 | — | — | EP | disclosed |
| EP-0172029-A1 | 1,4-Dihydropyridines | JOHN WYETH & BROTHER LIMITED (GB) | 1986-02-19 | — | — | EP | disclosed |
| US-4415749-A | RHODIUM AND IRON METALS ON AN ALUMINA SUPPORT CONTAINING GROUP I OR II METAL OXIDE | ETHYL CORPORATION (US) | 1983-11-15 | — | — | US | disclosed |
| US-4343807-A | BETA-LACTAMASE INHIBITORS, BACTERICIDES, ANTIBIOTICS | BEECHAM GROUP LIMITED (GB) | 1982-08-10 | — | — | US | disclosed |
| US-4309314-A | Catalytic composition for the selective formation of ethanol and methyl acetate from methanol and synthesis gas | ETHYL CORPORATION (US) | 1982-01-05 | — | — | US | disclosed |
| US-4260510-A | Cleaning composition | IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) | 1981-04-07 | — | — | US | disclosed |