⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17429986 | 0.92 | PDK2 (0.31) | — | |
| SCHEMBL17429982 | 0.92 | PDK2 (0.31) | — | |
| SCHEMBL17430233 | 0.89 | — | — | |
| SCHEMBL17429976 | 0.84 | PDK2 (0.35) | — | |
| SCHEMBL17430312 | 0.82 | THRB (0.31) | — | |
| SCHEMBL17427291 | 0.82 | THRB (0.31) | — | |
| SCHEMBL18769221 | 0.80 | PDK2 (0.31) | — | |
| SCHEMBL17430253 | 0.79 | SLC6A2 (0.36) | — | |
| SCHEMBL17430238 | 0.78 | — | — | |
| SCHEMBL17430236 | 0.77 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9740117-B2 | Electrophotographic photosensitive member, process cartridge, electrophotographic apparatus, and condensed polycyclic aromatic compound | CANON KABUSHIKI KAISHA (JP) | 2017-08-22 | — | — | US | disclosed |
| US-20160011529-A1 | ELECTROPHOTOGRAPHIC PHOTOSENSITIVE MEMBER, PROCESS CARTRIDGE, ELECTROPHOTOGRAPHIC APPARATUS, AND CONDENSED POLYCYCLIC AROMATIC COMPOUND | CANON KABUSHIKI KAISHA (JP) | 2016-01-14 | — | — | US | disclosed |