⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1829972 | 0.92 | — | — | |
| SCHEMBL27859696 | 0.87 | — | — | |
| SCHEMBL121600 | 0.87 | — | — | |
| SCHEMBL5592529 | 0.85 | — | — | |
| Hydrochloric Acid SCHEMBL6193526 | 0.84 | — | — | |
| SCHEMBL28355493 | 0.84 | — | — | |
| Bromide SCHEMBL28183802 | 0.84 | — | — | |
| SCHEMBL31432565 | 0.84 | — | — | |
| Iodide SCHEMBL7404079 | 0.84 | — | — | |
| Ammonia Solution, Strong SCHEMBL7085248 | 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-20050119431-A1 | Novel cationic polymers containing amidinium groups and their use | DEGUSSA AG (DE) | 2005-06-02 | — | — | US | claimed |