⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13670420 | 0.84 | — | — | |
| SCHEMBL13670392 | 0.82 | — | — | |
| SCHEMBL13671052 | 0.81 | — | — | |
| SCHEMBL13670373 | 0.81 | — | — | |
| SCHEMBL13670405 | 0.77 | TNF (0.30) | — | |
| SCHEMBL13670906 | 0.74 | KDM4E (0.33) | — | |
| SCHEMBL13670712 | 0.70 | TNF (0.32) | — | |
| SCHEMBL13670968 | 0.68 | — | — | |
| SCHEMBL13670370 | 0.68 | CYP1A2 (0.31) | — | |
| SCHEMBL13670368 | 0.68 | TNF (0.37) | — |
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-2107095-A1 | Novel organic electroluminescent compounds and organic electroluminescent device using the same | Gracel Display Inc. (KR) | 2009-10-07 | — | — | EP | disclosed |