Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Hexyl Acetate. 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 | 0.53 |
| ▸ | TSHR | P16473 | 3/20 | 0.47 |
| ▸ | USP2 | O75604 | 1/20 | 0.45 |
| ▸ | NAAA | Q02083 | 1/20 | 0.44 |
| ▸ | CES2 | O00748 | 1/20 | 0.43 |
| ▸ | MAPT | P10636 | 1/20 | 0.42 |
| ▸ | EPHX1 | P07099 | 1/20 | 0.42 |
| ▸ | PLA2G2C | Q5R387 | 1/20 | 0.42 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.41 |
| ▸ | DUSP3 | P51452 | 1/20 | 0.41 |
| ▸ | MEN1 | O00255 | 1/20 | 0.41 |
| ▸ | KMT2A | Q03164 | 1/20 | 0.41 |
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 | |
|---|---|---|---|---|
| Tetradecylacetate SCHEMBL466058 | 1.00 | ALDH1A1 (0.53) | ALDH1A1TSHRUSP2NAAACES2 | |
| Acetic Acid Pentyl Ester SCHEMBL2269446 | 0.98 | ALDH1A1 (0.55) | ALDH1A1TSHRUSP2NAAACES2 | |
| Acetic Acid Butyl Ester SCHEMBL107642 | 0.93 | ALDH1A1 (0.62) | ALDH1A1TSHRUSP2MAPT | |
| Tetradecylacetate SCHEMBL633019 | 0.93 | ALDH1A1 (0.61) | ALDH1A1TSHRUSP2NAAACES2 | |
| Octyl Acetate SCHEMBL27849660 | 0.93 | ALDH1A1 (0.61) | ALDH1A1TSHRUSP2NAAACES2 | |
| Acetic Acid Pentyl Ester SCHEMBL27685689 | 0.92 | ALDH1A1 (0.63) | ALDH1A1TSHRUSP2NAAAMAPT | |
| Acetic Acid Pentyl Ester SCHEMBL27678839 | 0.89 | ALDH1A1 (0.60) | ALDH1A1TSHRUSP2NAAACES2 | |
| Dodecylacetate SCHEMBL353028 | 0.88 | ALDH1A1 (0.68) | ALDH1A1TSHRNAAACES2EPHX1 | |
| Decylacetate SCHEMBL3426391 | 0.88 | ALDH1A1 (0.68) | ALDH1A1TSHRNAAACES2EPHX1 | |
| Tetradecylacetate SCHEMBL537712 | 0.88 | ALDH1A1 (0.68) | 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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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-20120082791-A1 | Coating Composition Amenable to Elastomeric Substrates | LIVERSAGE ROBERT RICHARD (US) | 2012-04-05 | — | — | US | disclosed |