Known targets — ChEMBL curated mechanism
ACHECHKACHRM1CHRM2CHRM3CHRM4CHRM5CHRNA1CHRNB1CHRNDCHRNECHRNGHRH2OPRM1
The experimentally established mechanism targets of Allylamine. 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 | |
|---|---|---|---|---|
| Allylamine SCHEMBL15197 | 0.91 | — | — | |
| Allylamine SCHEMBL6032547 | 0.91 | — | — | |
| Allylamine SCHEMBL8060322 | 0.87 | — | — | |
| Allylamine SCHEMBL8196674 | 0.86 | ALDH1A1 (0.90) | — | |
| Allylamine SCHEMBL11373125 | 0.86 | — | — | |
| Allylamine SCHEMBL5891273 | 0.86 | — | — | |
| Allylamine SCHEMBL3369484 | 0.86 | — | — | |
| Allylamine SCHEMBL13256599 | 0.86 | — | — | |
| Allylamine SCHEMBL3883129 | 0.86 | — | — | |
| Allylamine SCHEMBL169953 | 0.86 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1606242-A1 | AZIDE FREE PROCESS FOR PREPARING 1,2-DIAMINO COMPOUNDS | F.HOFFMANN-LA ROCHE AG (CH) | 2005-12-21 | — | — | EP | disclosed |
| WO-2004080944-A1 | AZIDE FREE PROCESS FOR PREPARING 1,2-DIAMINO COMPOUNDS | F.HOFFMANN-LA ROCHE AG (CH) | 2004-09-23 | — | — | WO | disclosed |