⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13189647 | 0.88 | ALDH1A1 (0.31) | — | |
| SCHEMBL13189525 | 0.88 | — | — | |
| SCHEMBL13189855 | 0.88 | — | — | |
| SCHEMBL13189912 | 0.88 | — | — | |
| SCHEMBL13189882 | 0.88 | — | — | |
| SCHEMBL13189874 | 0.88 | — | — | |
| SCHEMBL13189845 | 0.88 | — | — | |
| SCHEMBL13189881 | 0.88 | — | — | |
| SCHEMBL13189853 | 0.87 | TSPO (0.31) | — | |
| SCHEMBL21375884 | 0.87 | PTGES (0.30) | — |
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-2010110553-A2 | NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME | DOW ADVANCED DISPLAY MATERIALS, LTD. (KR) | 2010-09-30 | — | — | WO | disclosed |