⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3417890 | 0.82 | — | — | |
| SCHEMBL3419147 | 0.79 | — | — | |
| SCHEMBL3419582 | 0.79 | — | — | |
| SCHEMBL7381262 | 0.77 | — | — | |
| SCHEMBL3418737 | 0.76 | — | — | |
| SCHEMBL3422639 | 0.73 | — | — | |
| SCHEMBL3417781 | 0.71 | GPR84 (0.33) | — | |
| SCHEMBL28467608 | 0.71 | — | — | |
| SCHEMBL18995078 | 0.70 | — | — | |
| SCHEMBL18995079 | 0.68 | — | — |
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-20100130712-A1 | ADAMANTANE DERIVATIVE, RESIN COMPOSITION USING THE SAME, AND RESIN CURED PRODUCT | IDEMITSU KOSAN CO., LTD. (JP) | 2010-05-27 | — | — | US | disclosed |