⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13507321 | 0.89 | — | — | |
| SCHEMBL13509019 | 0.86 | — | — | |
| SCHEMBL13507245 | 0.84 | RXRA (0.30) | — | |
| SCHEMBL13509020 | 0.82 | — | — | |
| SCHEMBL27403792 | 0.80 | — | — | |
| SCHEMBL13372024 | 0.78 | — | — | |
| SCHEMBL9886721 | 0.77 | PDK2 (0.32) | — | |
| SCHEMBL13483167 | 0.77 | PDK2 (0.33) | — | |
| SCHEMBL13507379 | 0.76 | BRD4 (0.31) | — | |
| SCHEMBL13507363 | 0.76 | RXRA (0.31) | — |
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 |