⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13427442 | 0.83 | KMT2A (0.33) | — | |
| SCHEMBL15046212 | 0.80 | ALDH1A1 (0.30) | — | |
| SCHEMBL13427439 | 0.80 | CYP2A6 (0.36) | — | |
| SCHEMBL13427414 | 0.78 | KMT2A (0.34) | — | |
| SCHEMBL13428307 | 0.78 | KMT2A (0.34) | — | |
| SCHEMBL15046240 | 0.78 | — | — | |
| SCHEMBL13427447 | 0.77 | KMT2A (0.32) | — | |
| SCHEMBL13427440 | 0.77 | AKT1 (0.35) | — | |
| SCHEMBL13427427 | 0.77 | KMT2A (0.34) | — | |
| SCHEMBL13008877 | 0.77 | KMT2A (0.36) | — |
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-2256176-A1 | Novel organic electroluminescent compounds and organic electroluminescent device using the same | Gracel Display Inc. (KR) | 2010-12-01 | — | — | EP | disclosed |