Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Acetic Acid Pentyl Ester. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 12)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.55 |
| ▸ | TSHR | P16473 | 3/20 | 0.48 |
| ▸ | USP2 | O75604 | 1/20 | 0.42 |
| ▸ | NAAA | Q02083 | 1/20 | 0.42 |
| ▸ | CES2 | O00748 | 1/20 | 0.41 |
| ▸ | MAPT | P10636 | 1/20 | 0.40 |
| ▸ | PLA2G2C | Q5R387 | 1/20 | 0.40 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.40 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.38 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.38 |
| ▸ | MEN1 | O00255 | 1/20 | 0.38 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.38 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
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 | |
|---|---|---|---|---|
| Hexyl Acetate SCHEMBL896029 | 0.98 | ALDH1A1 (0.53) | ALDH1A1TSHRUSP2NAAACES2 | |
| Tetradecylacetate SCHEMBL466058 | 0.98 | ALDH1A1 (0.53) | ALDH1A1TSHRUSP2NAAACES2 | |
| Acetic Acid Butyl Ester SCHEMBL107642 | 0.95 | ALDH1A1 (0.62) | ALDH1A1TSHRUSP2MAPT | |
| Acetic Acid Pentyl Ester SCHEMBL27685689 | 0.93 | ALDH1A1 (0.63) | ALDH1A1TSHRUSP2NAAAMAPT | |
| Octyl Acetate SCHEMBL27849660 | 0.91 | ALDH1A1 (0.61) | ALDH1A1TSHRUSP2NAAACES2 | |
| Tetradecylacetate SCHEMBL633019 | 0.91 | ALDH1A1 (0.61) | ALDH1A1TSHRUSP2NAAACES2 | |
| Acetic Acid Pentyl Ester SCHEMBL27678839 | 0.90 | ALDH1A1 (0.60) | ALDH1A1TSHRUSP2NAAACES2 | |
| Acetic Acid Propyl Ester SCHEMBL105186 | 0.88 | ALDH1A1 (0.53) | ALDH1A1TSHRUSP2MAPT | |
| Acetic Acid Butyl Ester SCHEMBL2700544 | 0.88 | ALDH1A1 (0.72) | ALDH1A1TSHRMAPTKDM4EDUSP3 | |
| Acetic Acid Pentyl Ester SCHEMBL3264540 | 0.88 | ALDH1A1 (0.71) | ALDH1A1TSHRNAAACES2EPHX1 |
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 18 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2023131530-A1 | A CLEANING COMPOSITION FOR METAL SUBSTRATES PRETREATMENT AND ITS PREPARATION METHOD AND APPLICATION THEREOF | BASF COATINGS GMBH (DE) | 2023-07-13 | — | — | WO | disclosed |
| CN-114787717-A | Processing liquid and pattern forming method | 富士胶片株式会社 | 2022-07-22 | — | — | CN | disclosed |
| US-20210114967-A1 | RESIST COMPOSITION FOR PATTERN PRINTING AND PATTERN FORMING METHOD | KANEKA CORPORATION (JP) | 2021-04-22 | — | — | US | disclosed |
| EP-3806593-A1 | RESIST COMPOSITION FOR PATTERN PRINTING USE, AND METHOD FOR MANUFACTURING CIRCUIT PATTERN USING SAME | KANEKA CORPORATION (JP) | 2021-04-14 | — | — | EP | disclosed |
| US-20210103216-A1 | RESIST COMPOSITION FOR PATTERN PRINTING, AND PRODUCTION METHOD OF CIRCUIT PATTERNS USING THE SAME | KANEKA CORPORATION (JP) | 2021-04-08 | — | — | US | disclosed |
| US-10759989-B2 | Temperature-stable paraffin inhibitor compositions | ECOLAB USA INC. (US) | 2020-09-01 | — | — | US | disclosed |
| EP-3400369-A1 | TEMPERATURE-STABLE PARAFFIN INHIBITOR COMPOSITIONS | Ecolab Usa Inc. (US) | 2018-11-14 | — | — | EP | disclosed |
| WO-2017120286-A1 | TEMPERATURE-STABLE PARAFFIN INHIBITOR COMPOSITIONS | ECOLAB USA INC. (US) | 2017-07-13 | — | — | WO | disclosed |
| US-20170190949-A1 | TEMPERATURE-STABLE PARAFFIN INHIBITOR COMPOSITIONS | NORRISEAL-WELLMARK, INC. | 2017-07-06 | — | — | US | disclosed |
| US-8741809-B2 | Liquid pyraclostrobin-containing crop protection formulations | BASF SE (DE) | 2014-06-03 | — | — | US | disclosed |
| US-20110195846-A1 | Liquid Pyraclostrobin-Containing Crop Protection Formulations | BASF SE (DE) | 2011-08-11 | — | — | US | disclosed |
| CN-101359656-B | Image sensor package and fabrication method thereof | VISERA TECHNOLOGIES CO LTD | 2010-10-13 | — | — | CN | disclosed |
| CN-100475922-C | Nano composite normal temperature type gage mark coating and preparation method thereof | SUZHOU ZHONGKE NANOTECH COATIN (CN) | 2009-04-08 | — | — | CN | disclosed |
| CN-101359656-A | Image sensor package and fabrication method thereof | VISERA TECHNOLOGIES CO LTD (CN) | 2009-02-04 | — | — | CN | disclosed |
| CN-100371402-C | Infrared resistant coating and preparation process | DONGDONG CHEN (CN) | 2008-02-27 | — | — | CN | disclosed |
| CN-1927964-A | Infrared resistant coating and preparation process | CHEN DONGDONG (CN) | 2007-03-14 | — | — | CN | disclosed |
| CN-1923927-A | Nano composite normal temperature type gage mark coating and preparation method thereof | ZHONGKE NANOTECH COATING SHUZH (CN) | 2007-03-07 | — | — | CN | disclosed |
| US-20060177767-A1 | Photosensitive resin composition, thin film panel including a layer made from photosensitive resin composition, and method for manufacturing thin film panel | SAMSUNG ELECTRONICS CO., LTD. | 2006-08-10 | — | — | US | disclosed |