⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13507937 | 0.90 | RXRA (0.32) | — | |
| SCHEMBL13511383 | 0.82 | — | — | |
| SCHEMBL13507395 | 0.80 | RXRA (0.36) | — | |
| SCHEMBL13507057 | 0.77 | RXRA (0.35) | — | |
| SCHEMBL13507095 | 0.77 | — | — | |
| SCHEMBL13507350 | 0.75 | RXRA (0.40) | — | |
| SCHEMBL13507363 | 0.75 | RXRA (0.31) | — | |
| SCHEMBL13507872 | 0.75 | SIGMAR1 (0.31) | — | |
| SCHEMBL13507195 | 0.75 | NTSR1 (0.34) | — | |
| SCHEMBL13507041 | 0.74 | RXRA (0.38) | — |
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 |