⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13580444 | 0.90 | NPC1 (0.31) | — | |
| SCHEMBL13580441 | 0.88 | — | — | |
| SCHEMBL13580309 | 0.82 | NPC1 (0.34) | — | |
| SCHEMBL13580449 | 0.80 | — | — | |
| SCHEMBL13580446 | 0.80 | — | — | |
| SCHEMBL13580445 | 0.78 | — | — | |
| SCHEMBL13580452 | 0.75 | — | — | |
| SCHEMBL13580440 | 0.75 | PTPN1 (0.33) | — | |
| SCHEMBL13580350 | 0.74 | NPC1 (0.33) | — | |
| SCHEMBL13580430 | 0.74 | — | — |
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 2 patents. 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 |
| US-20090317733-A1 | Quinone Compound, Electrophotographic Photoconductor and Electrophotographic Apparatus | FUJI ELECTRIC DEVICE TECHNOLOGY CO., LTD. (JP) | 2009-12-24 | — | — | US | disclosed |