Known targets — ChEMBL curated mechanism
The experimentally established mechanism targets of Diethylamine. 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 | |
|---|---|---|---|---|
| Alcohol SCHEMBL27591126 | 0.87 | — | — | |
| SCHEMBL29901519 | 0.86 | TRPA1 (0.31) | — | |
| SCHEMBL19983 | 0.86 | TRPA1 (0.31) | — | |
| Ammonia Solution, Strong SCHEMBL27596721 | 0.84 | TRPA1 (0.31) | — | |
| SCHEMBL433359 | 0.84 | TRPA1 (0.31) | — | |
| Hydrochloric Acid SCHEMBL7403491 | 0.84 | TRPA1 (0.31) | — | |
| Hydrogen Sulfide SCHEMBL27732874 | 0.84 | TRPA1 (0.31) | — | |
| SCHEMBL27543379 | 0.84 | TRPA1 (0.31) | — | |
| SCHEMBL27611235 | 0.84 | TRPA1 (0.31) | — | |
| Cycloheptane SCHEMBL27301709 | 0.81 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-1639140-A | Benzothiazepine * derivatives for the treatment of hyperlipidemia | ASTRAZENECA AB (SE) | 2005-07-13 | — | — | CN | disclosed |
| EP-1427713-A1 | BENZOTHIAZEPINE DERIVATIVES FOR THE TREATMENT OF HYPERLIPIDEMIA | Astrazeneca AB (SE) | 2004-06-16 | — | — | EP | disclosed |
| WO-2003022825-A1 | BENZOTHIAZEPINE DERIVATIVES FOR THE TREATMENT OF HYPERLIPIDEMIA | ASTRAZENECA AB (SE) | 2003-03-20 | — | — | WO | disclosed |