⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2562088 | 0.87 | — | — | |
| SCHEMBL79933 | 0.85 | — | — | |
| SCHEMBL505247 | 0.81 | — | — | |
| SCHEMBL3752393 | 0.81 | — | — | |
| SCHEMBL540644 | 0.81 | — | — | |
| SCHEMBL7928178 | 0.80 | — | — | |
| SCHEMBL540640 | 0.79 | — | — | |
| SCHEMBL1937450 | 0.79 | — | — | |
| SCHEMBL540531 | 0.79 | — | — | |
| SCHEMBL8826818 | 0.79 | — | — |
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-6316567-B1 | DURABILITY OF TIRE TREADS | THE GOODYEAR TIRE & RUBBER COMPANY | 2001-11-13 | — | — | US | disclosed |