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 SCHEMBL28829636 | 0.86 | TP53 (0.36) | — | |
| Diethylamine SCHEMBL28275121 | 0.82 | PLA2G1B (0.32) | — | |
| Propylamine SCHEMBL10386381 | 0.82 | CYP2C19 (0.41) | — | |
| Diethylamine SCHEMBL17220640 | 0.78 | TP53 (0.44) | — | |
| Diethylamine SCHEMBL28085448 | 0.73 | TP53 (0.40) | — | |
| SCHEMBL10696811 | 0.73 | TSHR (0.38) | — | |
| SCHEMBL11521746 | 0.72 | CYP2C19 (0.52) | — | |
| SCHEMBL4745524 | 0.72 | CYP2C9 (0.41) | — | |
| SCHEMBL16504273 | 0.71 | CYP2C9 (0.40) | — | |
| SCHEMBL12598532 | 0.71 | CYP2C9 (0.40) | — |
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-105817242-A | Nanometer carbon material containing heteroatoms and preparation method and application thereof, and dehydrogenation reaction method for hydrocarbons | 中国石油化工股份有限公司 | 2016-08-03 | — | — | CN | disclosed |
| CN-105817248-A | Nanometer carbon material containing heteroatoms and preparation method and application thereof, and dehydrogenation reaction method for hydrocarbons | 中国石油化工股份有限公司 | 2016-08-03 | — | — | CN | disclosed |
| CN-105820022-A | Dehydrogenation reaction method for hydrocarbons | 中国石油化工股份有限公司 | 2016-08-03 | — | — | CN | disclosed |