⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13508997 | 0.95 | — | — | |
| SCHEMBL13509010 | 0.89 | PRKDC (0.31) | — | |
| SCHEMBL13509004 | 0.88 | — | — | |
| SCHEMBL13508918 | 0.87 | — | — | |
| SCHEMBL13508916 | 0.87 | — | — | |
| SCHEMBL13511567 | 0.84 | — | — | |
| SCHEMBL13508072 | 0.83 | ALDH1A1 (0.37) | — | |
| SCHEMBL17677542 | 0.81 | — | — | |
| SCHEMBL20341939 | 0.81 | KDM4E (0.30) | — | |
| SCHEMBL21936769 | 0.80 | CYP1A2 (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20100032658-A1 | Novel organic electroluminescent compounds and organic electroluminescent device using the same | GRACEL DISPLAY INC. (KR) | 2010-02-11 | — | — | US | disclosed |