⚠ 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 SCHEMBL437577 | 0.86 | — | — | |
| Allylamine SCHEMBL8614199 | 0.86 | ALDH1A1 (0.69) | — | |
| Allylamine SCHEMBL437576 | 0.86 | ALDH1A1 (0.69) | — | |
| SCHEMBL127444 | 0.78 | — | — | |
| Allylamine SCHEMBL6032547 | 0.78 | — | — | |
| Allylamine SCHEMBL15197 | 0.78 | — | — | |
| Allylamine SCHEMBL27936254 | 0.74 | — | — | |
| Allylamine SCHEMBL10528352 | 0.74 | — | — | |
| Allylamine SCHEMBL11351826 | 0.74 | — | — | |
| Allylamine SCHEMBL169953 | 0.73 | — | — |
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-20120041193-A1 | SUBSTITUTED INTERNAL VINYL-BORONIC ACIDS AND BORONIC ACID DERIVATIVES | FRONTIER SCIENTIFIC, INC. (US) | 2012-02-16 | — | — | US | disclosed |