⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14142830 | 0.83 | RELA (0.39) | — | |
| SCHEMBL13700696 | 0.83 | RELA (0.39) | — | |
| SCHEMBL13849996 | 0.80 | — | — | |
| SCHEMBL13511629 | 0.79 | RELA (0.35) | — | |
| SCHEMBL13706501 | 0.75 | RELA (0.32) | — | |
| SCHEMBL13671001 | 0.75 | RELA (0.39) | — | |
| SCHEMBL13356901 | 0.75 | RELA (0.39) | — | |
| SCHEMBL12888123 | 0.74 | ALDH1A1 (0.32) | — | |
| SCHEMBL13862422 | 0.74 | — | — | |
| SCHEMBL13651507 | 0.73 | RELA (0.32) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2161319-A2 | Benzo(c)phenanthrene derivatives and organic electroluminescent device using the same | Gracel Display Inc. (KR) | 2010-03-10 | — | — | EP | disclosed |