⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3340723 | 0.87 | — | — | |
| Hydrochloric Acid SCHEMBL11268784 | 0.80 | — | — | |
| SCHEMBL28315465 | 0.80 | — | — | |
| Trimethylammonium SCHEMBL27365099 | 0.72 | — | — | |
| Trimethylammonium SCHEMBL27826996 | 0.72 | — | — | |
| Trimethylammonium SCHEMBL27586680 | 0.72 | — | — | |
| SCHEMBL3737332 | 0.72 | — | — | |
| Trimethylammonium SCHEMBL8598355 | 0.67 | — | — | |
| Trimethylammonium SCHEMBL28116549 | 0.67 | — | — | |
| Trimethylammonium SCHEMBL28335315 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20040029143-A1 | Cationic polyelectrolytes in biomolecule purification and analysis | KECK GRADUATE INSTITUTE | 2004-02-12 | — | — | US | disclosed |