⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6464459 | 0.82 | NPC1 (0.31) | — | |
| SCHEMBL12228210 | 0.78 | NPC1 (0.33) | — | |
| SCHEMBL6460388 | 0.76 | — | — | |
| SCHEMBL6459474 | 0.69 | NPC1 (0.32) | — | |
| SCHEMBL5884762 | 0.68 | MEN1 (0.34) | — | |
| SCHEMBL5684737 | 0.68 | MEN1 (0.34) | — | |
| SCHEMBL5683431 | 0.68 | — | — | |
| SCHEMBL5884757 | 0.68 | MEN1 (0.34) | — | |
| SCHEMBL5683433 | 0.68 | — | — | |
| SCHEMBL20052522 | 0.67 | ALOX5 (0.36) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-7067179-B1 | Fused ring compound | DAINIPPON INK AND CHEMICALS, INC. (JP) | 2006-06-27 | — | — | US | disclosed |
| EP-1201632-B1 | FUSED RING COMPOUND | DAINIPPON INK & CHEMICALS (JP) | 2006-03-29 | — | — | EP | disclosed |
| EP-1201632-A1 | FUSED RING COMPOUND | DAINIPPON INK AND CHEMICALS, INC. (JP) | 2002-05-02 | — | — | EP | disclosed |