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 | |
|---|---|---|---|---|
| Propionaldehyde SCHEMBL28164384 | 0.83 | — | — | |
| Propionaldehyde SCHEMBL4992 | 0.83 | — | — | |
| Propionaldehyde SCHEMBL1332840 | 0.83 | — | — | |
| Propionaldehyde SCHEMBL7323052 | 0.83 | — | — | |
| Propionaldehyde SCHEMBL5310572 | 0.83 | — | — | |
| Propionaldehyde SCHEMBL22778180 | 0.80 | — | — | |
| Diethylamine SCHEMBL15194558 | 0.80 | — | — | |
| Propionaldehyde SCHEMBL16583874 | 0.79 | — | — | |
| Propionaldehyde SCHEMBL5604120 | 0.79 | — | — | |
| Propionaldehyde SCHEMBL6358038 | 0.79 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101558059-B | Hepatitis c virus inhibitors | BRISTOL MYERS SQUIBB CO | 2014-12-03 | — | — | CN | claimed |
| CN-101528232-B | Hepatitis c virus inhibitors | BRISTOL MYERS SQUIBB CO | 2014-11-12 | — | — | CN | claimed |
| CN-101558059-A | Hepatitis C virus inhibitors | BRISTOL MYERS SQUIBB CO (US) | 2009-10-14 | — | — | CN | claimed |
| CN-101528232-A | Hepatitis C virus inhibitors | BRISTOL MYERS SQUIBB CO (US) | 2009-09-09 | — | — | CN | claimed |