⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13364528 | 0.83 | NR1H3 (0.31) | — | |
| SCHEMBL13365459 | 0.83 | PDK2 (0.30) | — | |
| SCHEMBL13364736 | 0.81 | — | — | |
| SCHEMBL13364676 | 0.81 | — | — | |
| SCHEMBL13364675 | 0.80 | — | — | |
| SCHEMBL13365717 | 0.78 | — | — | |
| SCHEMBL13365863 | 0.78 | NR1H2 (0.30) | — | |
| SCHEMBL13364328 | 0.77 | NR1H3 (0.34) | — | |
| SCHEMBL13365937 | 0.77 | PDK2 (0.36) | — | |
| SCHEMBL13365486 | 0.77 | RELA (0.33) | — |
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-2182038-A1 | Novel organic electroluminescent compounds and organic electroluminescent device using the same | Gracel Display Inc. (KR) | 2010-05-05 | — | — | EP | disclosed |