Known targets — ChEMBL curated mechanism
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 SCHEMBL8486553 | 1.00 | ALDH1A1 (0.60) | — | |
| Allylamine SCHEMBL156788 | 0.97 | — | — | |
| Allylamine SCHEMBL18815995 | 0.97 | ALDH1A1 (0.64) | — | |
| Allylamine SCHEMBL28828732 | 0.97 | ALDH1A1 (0.64) | — | |
| Allylamine SCHEMBL438669 | 0.97 | ALDH1A1 (0.64) | — | |
| Allylamine SCHEMBL3433020 | 0.93 | — | — | |
| Allylamine SCHEMBL175714 | 0.87 | — | — | |
| Allylamine SCHEMBL28448040 | 0.84 | ALDH1A1 (0.56) | — | |
| Allylamine SCHEMBL17868863 | 0.84 | — | — | |
| Acrylic Acid SCHEMBL3136195 | 0.84 | — | — |
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-5863867-A | DISSOLVING METAL OXIDE POWDERS IN ACID AND ADDING AN ANIONIC SOLUTION TO PRECIPITATE; FILTERING AND DRYING PRECIPITATE, CALCINING AT REDUCED PRESSURE UNDER CO2-FREE AIR; HIGH TEMPERATURE, SUPERCONDUCTIVE POWDER | SUPERCONDUCTIVE COMPONENTS, INC. (US) | 1999-01-26 | — | — | US | claimed |