⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13862972 | 0.92 | — | — | |
| SCHEMBL21238994 | 0.91 | — | — | |
| SCHEMBL12693359 | 0.91 | — | — | |
| SCHEMBL1687467 | 0.89 | — | — | |
| SCHEMBL19365179 | 0.88 | — | — | |
| SCHEMBL13856139 | 0.87 | KDM4E (0.33) | — | |
| SCHEMBL22700929 | 0.86 | — | — | |
| SCHEMBL19380795 | 0.85 | ALDH1A1 (0.33) | — | |
| SCHEMBL13009271 | 0.85 | KDM4E (0.33) | — | |
| SCHEMBL22891144 | 0.84 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2182040-A2 | Aromatic compounds and organic electronic device using the same | Gracel Display Inc. (KR) | 2010-05-05 | — | — | EP | disclosed |
| EP-2085450-A1 | Novel organic electroluminescent compounds and organic electroluminescent device using the same | Gracel Display Inc. (KR) | 2009-08-05 | — | — | EP | disclosed |