⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13750265 | 0.73 | — | — | |
| SCHEMBL13816639 | 0.73 | — | — | |
| SCHEMBL7543695 | 0.69 | PARP1 (0.35) | — | |
| SCHEMBL13750252 | 0.68 | ALDH1A1 (0.35) | — | |
| SCHEMBL13816348 | 0.68 | — | — | |
| SCHEMBL10140987 | 0.67 | PLAU (0.32) | — | |
| SCHEMBL13750089 | 0.65 | — | — | |
| SCHEMBL7080329 | 0.64 | MAOA (0.41) | — | |
| SCHEMBL10585098 | 0.64 | ALDH1A1 (0.40) | — | |
| SCHEMBL13816701 | 0.63 | ALDH1A1 (0.43) | — |
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-2067767-A1 | Novel organic electroluminescent compounds and organic electroluminescent device using the same | Gracel Display Inc. (KR) | 2009-06-10 | — | — | EP | disclosed |