Known targets — ChEMBL curated mechanism
ACHEBDKRB2CHRM1CHRM2CHRM3CHRNA1CHRNB1CHRNDCHRNECHRNGGUCY1A1GUCY1A2GUCY1B1GUCY1B2NAMPTPTAFRSLC10A2SLC6A2SLC6A3TACR1dacAdacBdacCftsImrcAmrcBmrdA
The experimentally established mechanism targets of Ethyl Acetate. 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 | |
|---|---|---|---|---|
| Ethyl Acetate SCHEMBL27851813 | 0.97 | — | — | |
| Ethyl Acetate SCHEMBL27692499 | 0.94 | — | — | |
| Ethyl Acetate SCHEMBL28114359 | 0.94 | — | — | |
| Ethyl Acetate SCHEMBL28136114 | 0.94 | — | — | |
| Ethyl Acetate SCHEMBL10647601 | 0.94 | ALDH1A1 (0.88) | — | |
| Ethyl Acetate SCHEMBL28860498 | 0.94 | — | — | |
| Ethyl Acetate SCHEMBL5149987 | 0.94 | — | — | |
| Ethyl Acetate SCHEMBL261878 | 0.94 | — | — | |
| Ethyl Acetate SCHEMBL11819132 | 0.94 | ALDH1A1 (0.88) | — | |
| Ethyl Acetate SCHEMBL27854867 | 0.94 | — | — |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-107661295-B | A kind of pharmaceutical carrier and preparation method of apiolin | 山东师范大学 | 2019-09-24 | — | — | CN | claimed |
| CN-118294229-A | Rapid detection pretreatment method for simultaneously detecting multiple veterinary drug residues in pork and application thereof | 山东省食品药品检验研究院 | 2024-07-05 | — | — | CN | disclosed |
| CN-111393346-A | Synthesis method of N-Boc-Dolaprine and Boc-Dap DCHA | 凯莱英生命科学技术(天津)有限公司 | 2020-07-10 | — | — | CN | disclosed |
| CN-109873011-A | Photoelectric device and imaging sensor and electronic equipment | 三星电子株式会社 | 2019-06-11 | — | — | CN | disclosed |
| CN-109689631-A | Method for preparing 3- (trifluoromethyl) pyrazine-2-formic ether | 隆萨有限公司 | 2019-04-26 | — | — | CN | disclosed |
| CN-109400432-A | The preparation method and application of hydroxytyrosol ester type compound | 通化师范学院 | 2019-03-01 | — | — | CN | disclosed |
| CN-102666544-B | Pyrrolo[2,3-d]pyrazin-7-yl pyrimidine compounds | MERCK PATENT GMBH | 2014-11-26 | — | — | CN | disclosed |
| CN-103360395-A | Indole carbazole compound as well as preparation method and application thereof | UNIV NANKAI | 2013-10-23 | — | — | CN | disclosed |
| CN-101555252-B | Synthetic method of antibiotic cefoxitin | SUZHOU ZHIJUN WANQING PHARMACEUTICAL CO LTD | 2011-05-11 | — | — | CN | disclosed |
| CN-101959882-A | Imidazole carbonyl compound | DAIICHI SANKYO CO LTD | 2011-01-26 | — | — | CN | disclosed |
| CN-101555252-A | Synthetic method of antibiotic cefoxitin | SUZHOU ZHIJUN WANQING PHARMACE (CN) | 2009-10-14 | — | — | CN | disclosed |
| CN-101146776-A | PGD2 receptor antagonists for the treatment of inflammatory diseases | MILLENNIUM PHARM INC (US) | 2008-03-19 | — | — | CN | disclosed |
| US-6001811-A | TREATMENT OF ADULT RESPIRATORY DISTRESS SYNDROME, SEPSIS, MULTIPLE ORGAN FAILURE | CORTECH INC. (US) | 1999-12-14 | — | — | US | disclosed |
| US-5998379-A | USEFUL AS INHIBITORS OF SERINE PROTEASES, IN PARTICULAR HUMAN NEUTROPHIL ELASTASE, TREATMENT OF ADULT RESPIRATORY DISTRESS SYNDROME, SEPTIC SHOCK, AND MYOCARDIAL ISCHEMIA-REPERFUSION INJURY | CORTECH INC. (US) | 1999-12-07 | — | — | US | disclosed |
| CN-1034504-C | Thioalkylthio cephalosporin derivatives | SHIONOGI & CO (JP) | 1997-04-09 | — | — | CN | disclosed |