⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3421653 | 0.88 | — | — | |
| SCHEMBL3422025 | 0.87 | — | — | |
| SCHEMBL3417839 | 0.87 | — | — | |
| SCHEMBL3418422 | 0.85 | CYP2D6 (0.34) | — | |
| SCHEMBL3416191 | 0.84 | CYP2D6 (0.37) | — | |
| SCHEMBL3419582 | 0.82 | — | — | |
| SCHEMBL3419147 | 0.79 | — | — | |
| SCHEMBL3420567 | 0.79 | — | — | |
| SCHEMBL3422069 | 0.78 | CYP2D6 (0.34) | — | |
| SCHEMBL8757227 | 0.77 | — | — |
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 |