⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4457048 | 0.94 | — | — | |
| Fluoride SCHEMBL3810110 | 0.94 | — | — | |
| SCHEMBL8558807 | 0.94 | — | — | |
| SCHEMBL10716658 | 0.89 | — | — | |
| SCHEMBL8780984 | 0.89 | — | — | |
| Fluoride SCHEMBL7547011 | 0.89 | — | — | |
| Water SCHEMBL19350237 | 0.89 | — | — | |
| SCHEMBL10534198 | 0.89 | — | — | |
| SCHEMBL10455682 | 0.89 | — | — | |
| Fluoride SCHEMBL7996535 | 0.89 | — | — |
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-6281271-B1 | BLEND OF POLYMER AND FILLER | IVOCLAR AG (LI) | 2001-08-28 | — | — | US | disclosed |