⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13508995 | 0.90 | — | — | |
| SCHEMBL13509045 | 0.84 | — | — | |
| SCHEMBL13508997 | 0.82 | — | — | |
| SCHEMBL13509004 | 0.79 | — | — | |
| SCHEMBL13509010 | 0.79 | PRKDC (0.31) | — | |
| SCHEMBL13508012 | 0.76 | CYP1A2 (0.32) | — | |
| SCHEMBL13333891 | 0.75 | — | — | |
| SCHEMBL24521367 | 0.75 | ALDH1A1 (0.34) | — | |
| SCHEMBL13856281 | 0.75 | ALDH1A1 (0.34) | — | |
| SCHEMBL13710912 | 0.73 | — | — |
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-2145936-A2 | Fluorene and pyrene derivatives and organic electroluminescent device using the same | Gracel Display Inc. (KR) | 2010-01-20 | — | — | EP | disclosed |