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 SCHEMBL28114359 | 0.94 | — | — | |
| Ethyl Acetate SCHEMBL8580955 | 0.94 | — | — | |
| Ethyl Acetate SCHEMBL261878 | 0.94 | — | — | |
| Ethyl Acetate SCHEMBL11819132 | 0.94 | ALDH1A1 (0.88) | — | |
| Ethyl Acetate SCHEMBL10647601 | 0.94 | ALDH1A1 (0.88) | — | |
| Ethyl Acetate SCHEMBL28615209 | 0.94 | ALDH1A1 (1.00) | — | |
| Ethyl Acetate SCHEMBL1331990 | 0.94 | — | — | |
| Ethyl Acetate SCHEMBL28457765 | 0.94 | ALDH1A1 (1.00) | — | |
| Ethyl Acetate SCHEMBL1331901 | 0.94 | — | — | |
| Ethyl Acetate SCHEMBL8506185 | 0.94 | ALDH1A1 (1.00) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106596531-B | A kind of method and device detecting volatile organic compounds | 江苏大学 | 2019-08-27 | — | — | CN | disclosed |
| CN-106596531-A | Method and device for detecting volatile organic compound | 江苏大学 | 2017-04-26 | — | — | CN | disclosed |