⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3439745 | 0.82 | CYP3A4 (0.31) | — | |
| SCHEMBL12215117 | 0.72 | GSK3A (0.33) | — | |
| SCHEMBL19670767 | 0.72 | HTT (0.34) | — | |
| SCHEMBL28379661 | 0.68 | APEX1 (0.39) | — | |
| SCHEMBL12386768 | 0.66 | — | — | |
| SCHEMBL16351802 | 0.66 | — | — | |
| SCHEMBL10014287 | 0.66 | — | — | |
| SCHEMBL13889876 | 0.63 | — | — | |
| SCHEMBL17208877 | 0.62 | APEX1 (0.34) | — | |
| SCHEMBL29886575 | 0.62 | TRPA1 (0.31) | — |
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-9012112-B2 | Electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus | CANON KABUSHIKI KAISHA (JP) | 2015-04-21 | — | — | US | disclosed |