⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13580411 | 0.91 | NPC1 (0.33) | — | |
| SCHEMBL13580324 | 0.89 | NPC1 (0.35) | — | |
| SCHEMBL13580430 | 0.83 | — | — | |
| SCHEMBL13580350 | 0.83 | NPC1 (0.33) | — | |
| SCHEMBL13580735 | 0.80 | NPC1 (0.31) | — | |
| SCHEMBL13580341 | 0.78 | NPC1 (0.33) | — | |
| SCHEMBL13580738 | 0.78 | NPC1 (0.32) | — | |
| SCHEMBL13580318 | 0.78 | NPC1 (0.34) | — | |
| SCHEMBL13580420 | 0.77 | NPC1 (0.36) | — | |
| SCHEMBL13580424 | 0.77 | NPC1 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20090317733-A1 | Quinone Compound, Electrophotographic Photoconductor and Electrophotographic Apparatus | FUJI ELECTRIC DEVICE TECHNOLOGY CO., LTD. (JP) | 2009-12-24 | — | — | US | disclosed |