⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8585535 | 0.87 | — | — | |
| SCHEMBL8434 | 0.87 | — | — | |
| SCHEMBL24845 | 0.87 | — | — | |
| SCHEMBL8519870 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL4432819 | 0.75 | — | — | |
| Iodide SCHEMBL6028354 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL1476890 | 0.75 | — | — | |
| SCHEMBL621867 | 0.75 | — | — | |
| Iodide SCHEMBL8990166 | 0.75 | — | — | |
| Ammonia Solution, Strong SCHEMBL7071170 | 0.75 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0382411-B1 | Delivery of cytotoxic agents | LILLY CO ELI (US) | 1994-12-07 | — | — | EP | claimed |