⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13511623 | 0.94 | KDM4E (0.32) | — | |
| SCHEMBL13507694 | 0.88 | APP (0.33) | — | |
| SCHEMBL13511564 | 0.84 | ALK (0.31) | — | |
| SCHEMBL13507645 | 0.83 | ALDH1A1 (0.36) | — | |
| SCHEMBL13507689 | 0.83 | ALDH1A1 (0.34) | — | |
| SCHEMBL13507264 | 0.81 | POLB (0.33) | — | |
| SCHEMBL13507531 | 0.78 | ALDH1A1 (0.33) | — | |
| SCHEMBL13507521 | 0.76 | AKT1 (0.33) | — | |
| SCHEMBL13511364 | 0.75 | MAOA (0.41) | — | |
| SCHEMBL13507258 | 0.75 | NR1H3 (0.35) | — |
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-2145936-A2 | Fluorene and pyrene derivatives and organic electroluminescent device using the same | Gracel Display Inc. (KR) | 2010-01-20 | — | — | EP | disclosed |