⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13506971 | 0.88 | — | — | |
| SCHEMBL14600389 | 0.87 | PDK2 (0.33) | — | |
| SCHEMBL13508130 | 0.86 | PGR (0.33) | — | |
| SCHEMBL13508986 | 0.85 | — | — | |
| SCHEMBL13507449 | 0.85 | — | — | |
| SCHEMBL13928188 | 0.84 | PDK2 (0.32) | — | |
| SCHEMBL13506956 | 0.84 | — | — | |
| SCHEMBL12761695 | 0.84 | — | — | |
| SCHEMBL13507696 | 0.83 | RXRA (0.35) | — | |
| SCHEMBL13507819 | 0.83 | ALDH1A1 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20100032658-A1 | Novel organic electroluminescent compounds and organic electroluminescent device using the same | GRACEL DISPLAY INC. (KR) | 2010-02-11 | — | — | US | disclosed |
| EP-2145936-A2 | Fluorene and pyrene derivatives and organic electroluminescent device using the same | Gracel Display Inc. (KR) | 2010-01-20 | — | — | EP | disclosed |