⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10460924 | 0.77 | — | — | |
| SCHEMBL8034276 | 0.77 | CYP2A6 (0.31) | — | |
| SCHEMBL21782792 | 0.77 | — | — | |
| SCHEMBL28191891 | 0.74 | ASPH (0.33) | — | |
| SCHEMBL8049743 | 0.73 | — | — | |
| SCHEMBL28059012 | 0.73 | ROCK2 (0.30) | — | |
| SCHEMBL28089146 | 0.73 | — | — | |
| SCHEMBL8666055 | 0.71 | ALDH1A1 (0.31) | — | |
| SCHEMBL12320946 | 0.68 | — | — | |
| SCHEMBL27781003 | 0.66 | — | — |
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-2161319-A2 | Benzo(c)phenanthrene derivatives and organic electroluminescent device using the same | Gracel Display Inc. (KR) | 2010-03-10 | — | — | EP | disclosed |