⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL38272 | 0.94 | — | — | |
| SCHEMBL13605232 | 0.94 | — | — | |
| SCHEMBL13963674 | 0.94 | — | — | |
| SCHEMBL8411033 | 0.89 | — | — | |
| Iodide SCHEMBL28805512 | 0.89 | — | — | |
| Hydrochloric Acid SCHEMBL59965 | 0.89 | — | — | |
| SCHEMBL2357947 | 0.89 | — | — | |
| Methyl Alcohol SCHEMBL28514967 | 0.84 | — | — | |
| Hydrochloric Acid SCHEMBL1309139 | 0.84 | — | — | |
| Isopropyl Alcohol SCHEMBL29227401 | 0.80 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2002100395-A1 | BISMUTH SALTS OF ANTI-OXIDANTS AND RADICAL SCAVENGERS FOR PREVENTION AND TREATMENT OF MUCOUS MEMBRANE ULCERS | GENZYME CORPORATION (US) | 2002-12-19 | — | — | WO | claimed |