⚠ 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 | 0.95 | — | — | |
| Allylamine SCHEMBL6032547 | 0.95 | — | — | |
| Allylamine SCHEMBL169953 | 0.90 | — | — | |
| Allylamine SCHEMBL8858077 | 0.90 | ALDH1A1 (0.90) | — | |
| Allylamine SCHEMBL16653526 | 0.90 | — | — | |
| Allylamine SCHEMBL8196674 | 0.90 | ALDH1A1 (0.90) | — | |
| Allylamine SCHEMBL11373125 | 0.90 | — | — | |
| Allylamine SCHEMBL13256599 | 0.90 | — | — | |
| Allylamine SCHEMBL1669962 | 0.90 | — | — | |
| Allylamine SCHEMBL3883129 | 0.90 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2012083011-A1 | SURFACE RESISTANT TO BIOFOULING | BATTELLE MEMORIAL INSTITUTE (US) | 2012-06-21 | — | — | WO | disclosed |