⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28236008 | 0.79 | — | — | |
| Ammonia Solution, Strong SCHEMBL27648932 | 0.77 | SLC1A3 (0.31) | — | |
| SCHEMBL22061302 | 0.74 | SLC1A3 (0.30) | — | |
| SCHEMBL3480188 | 0.74 | SLC1A3 (0.35) | — | |
| SCHEMBL10750235 | 0.74 | SLC1A3 (0.35) | — | |
| SCHEMBL4604111 | 0.71 | — | — | |
| SCHEMBL2693552 | 0.71 | — | — | |
| SCHEMBL22711076 | 0.71 | — | — | |
| SCHEMBL18889576 | 0.69 | LAP3 (0.31) | — | |
| SCHEMBL22386308 | 0.67 | — | — |
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-1077922-A1 | POLYAMINE | Kao Corporation (JP) | 2001-02-28 | — | — | EP | disclosed |
| WO-1999058491-A1 | POLYAMINE | KAO CORPORATION (JP) | 1999-11-18 | — | — | WO | disclosed |