⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL9307711 | 0.99 | — | — | |
| SCHEMBL174716 | 0.99 | — | — | |
| SCHEMBL5916320 | 0.98 | — | — | |
| Hydrochloric Acid SCHEMBL9308866 | 0.98 | — | — | |
| SCHEMBL5916334 | 0.98 | — | — | |
| SCHEMBL1438803 | 0.98 | — | — | |
| SCHEMBL6312450 | 0.98 | — | — | |
| SCHEMBL5916331 | 0.98 | — | — | |
| Hydrochloric Acid SCHEMBL17065152 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL6865969 | 0.97 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6878821-B2 | Contacting with oxidizing agent and fluorinated alcohol | WARNER-LAMBERT LLC (US) | 2005-04-12 | — | — | US | disclosed |
| US-20030176723-A1 | Modifying chemoselectivity during oxidation of nitrogen compounds | BERNADELLI PATRICK (FR) | 2003-09-18 | — | — | US | disclosed |
| US-5429941-A | Use of analog ligand to reduce activation energy | SCRIPPS RESEARCH INSTITUTE, THE | 1995-07-04 | — | — | US | disclosed |