⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16475422 | 0.85 | — | — | |
| SCHEMBL10117596 | 0.84 | KDM4E (0.34) | — | |
| SCHEMBL21558995 | 0.82 | ALOX5 (0.40) | — | |
| SCHEMBL16067898 | 0.80 | ALOX5 (0.41) | — | |
| SCHEMBL21563651 | 0.80 | ALOX5 (0.41) | — | |
| SCHEMBL15551794 | 0.80 | ALOX5 (0.41) | — | |
| SCHEMBL24627623 | 0.80 | ALOX5 (0.41) | — | |
| SCHEMBL24118933 | 0.80 | ALOX5 (0.41) | — | |
| SCHEMBL31511478 | 0.80 | ALOX5 (0.41) | — | |
| SCHEMBL24433986 | 0.80 | ALOX5 (0.40) | — |
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-3567026-B1 | NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME | LG CHEMICAL LTD (KR) | 2021-12-29 | — | — | EP | disclosed |