⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8816500 | 0.67 | — | — | |
| SCHEMBL27263129 | 0.62 | — | — | |
| SCHEMBL19279758 | 0.62 | — | — | |
| SCHEMBL402790 | 0.62 | — | — | |
| SCHEMBL4694013 | 0.62 | — | — | |
| SCHEMBL30779762 | 0.62 | — | — | |
| SCHEMBL9514187 | 0.59 | — | — | |
| SCHEMBL28913368 | 0.59 | — | — | |
| SCHEMBL9242234 | 0.58 | — | — | |
| SCHEMBL251268 | 0.46 | — | — |
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-6079465-A | Polymer composition for tire and pneumatic tire using same | THE YOKOHAMA RUBBER CO., LTD. (JP) | 2000-06-27 | — | — | US | disclosed |