⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL165149 | 0.62 | — | — | |
| SCHEMBL2406845 | 0.60 | — | — | |
| SCHEMBL5391099 | 0.52 | — | — | |
| SCHEMBL14380318 | 0.52 | — | — | |
| SCHEMBL14380284 | 0.52 | ALDH1A1 (0.36) | — | |
| SCHEMBL138622 | 0.52 | ADORA2A (0.36) | — | |
| SCHEMBL352077 | 0.52 | HSP90AA1 (0.39) | — | |
| SCHEMBL29357583 | 0.52 | ADORA2A (0.36) | — | |
| SCHEMBL30358616 | 0.52 | HSP90AA1 (0.39) | — | |
| SCHEMBL29360166 | 0.52 | HSP90AA1 (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2011105700-A1 | NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME | ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) | 2011-09-01 | — | — | WO | disclosed |