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 | |
|---|---|---|---|---|
| Diethylamine SCHEMBL6422531 | 0.96 | TP53 (0.57) | — | |
| Diethylamine SCHEMBL140448 | 0.88 | TP53 (0.80) | — | |
| Diethylamine SCHEMBL140450 | 0.88 | — | — | |
| Diethylamine SCHEMBL27918805 | 0.79 | TP53 (0.80) | — | |
| Diethylamine SCHEMBL8915993 | 0.79 | — | — | |
| Diethylamine SCHEMBL509438 | 0.79 | — | — | |
| Diethylamine SCHEMBL11785374 | 0.79 | — | — | |
| Diethylamine SCHEMBL7628603 | 0.79 | — | — | |
| Diethylamine SCHEMBL9099011 | 0.79 | TP53 (0.53) | — | |
| Methacrylic Acid SCHEMBL5514685 | 0.78 | TP53 (0.44) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20050004038-A1 | Bivalent inhibitors of Glutathione-S-Transferases | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2005-01-06 | — | — | US | disclosed |