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 SCHEMBL2698 | 0.82 | — | — | |
| Diethylamine SCHEMBL3558785 | 0.82 | — | — | |
| Diethylamine SCHEMBL7368833 | 0.82 | — | — | |
| Diethylamine SCHEMBL7130457 | 0.82 | TP53 (1.00) | — | |
| Diethylamine SCHEMBL2522638 | 0.80 | — | — | |
| Diethylamine SCHEMBL3257941 | 0.80 | — | — | |
| Diethylamine SCHEMBL5031686 | 0.77 | — | — | |
| Diethylamine SCHEMBL21585568 | 0.77 | — | — | |
| Diethylamine SCHEMBL9289074 | 0.77 | TP53 (0.89) | — | |
| Diethylamine SCHEMBL21585566 | 0.77 | — | — |
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-6350714-B1 | ACTIVATION GROUP 1B OR 2B METAL OR COMPOUND BY REACTING WITH ALKYNE AND CARBONYL COMPOUND; ALKYNYLATION, AMINOALKYLATION, CATALYSIS | BASF AKTIENGESELLSCHAFT (DE) | 2002-02-26 | — | — | US | disclosed |