⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14464237 | 0.93 | — | — | |
| SCHEMBL7490644 | 0.93 | — | — | |
| SCHEMBL3071846 | 0.66 | — | — | |
| SCHEMBL5421537 | 0.66 | — | — | |
| SCHEMBL574943 | 0.62 | — | — | |
| SCHEMBL4891355 | 0.62 | — | — | |
| SCHEMBL13891191 | 0.57 | — | — | |
| SCHEMBL6262422 | 0.57 | — | — | |
| SCHEMBL13262504 | 0.57 | — | — | |
| Acetaldehyde SCHEMBL9735747 | 0.57 | — | — |
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-0372603-A2 | Antibacterial oral composition | Colgate-Palmolive Company (US) | 1990-06-13 | — | — | EP | claimed |