⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL539247 | 0.75 | CYP1A2 (0.36) | — | |
| SCHEMBL815786 | 0.74 | — | — | |
| SCHEMBL453884 | 0.74 | — | — | |
| SCHEMBL28867977 | 0.74 | — | — | |
| SCHEMBL7120876 | 0.73 | — | — | |
| SCHEMBL9858514 | 0.72 | — | — | |
| SCHEMBL960448 | 0.70 | — | — | |
| SCHEMBL5611269 | 0.70 | — | — | |
| SCHEMBL1781070 | 0.70 | — | — | |
| SCHEMBL146826 | 0.70 | — | — |
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-7198639-B2 | Polysilsesquioxane containing polymeric compositions | BAUSCH & LOMB INCORPORATED (US) | 2007-04-03 | — | — | US | claimed |