⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13408736 | 0.79 | ALDH1A1 (0.31) | — | |
| SCHEMBL13408742 | 0.76 | GSTP1 (0.30) | — | |
| SCHEMBL13408875 | 0.69 | MCL1 (0.36) | — | |
| SCHEMBL13408727 | 0.68 | ALDH1A1 (0.31) | — | |
| SCHEMBL13408699 | 0.66 | — | — | |
| SCHEMBL13408823 | 0.66 | HPGD (0.34) | — | |
| SCHEMBL13408873 | 0.66 | GPR84 (0.38) | — | |
| SCHEMBL13445044 | 0.63 | — | — | |
| SCHEMBL13445365 | 0.61 | — | — | |
| SCHEMBL13408745 | 0.57 | POLB (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-2161319-A2 | Benzo(c)phenanthrene derivatives and organic electroluminescent device using the same | Gracel Display Inc. (KR) | 2010-03-10 | — | — | EP | disclosed |