⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL31488668 | 0.76 | — | — | |
| SCHEMBL3419708 | 0.76 | — | — | |
| SCHEMBL8663158 | 0.74 | — | — | |
| SCHEMBL9459220 | 0.74 | — | — | |
| SCHEMBL23009940 | 0.70 | — | — | |
| SCHEMBL23009843 | 0.69 | CYP1A2 (0.45) | — | |
| SCHEMBL22654590 | 0.68 | ALDH1A1 (0.36) | — | |
| SCHEMBL13079509 | 0.68 | ADORA3 (0.36) | — | |
| SCHEMBL8662792 | 0.67 | PARP1 (0.36) | — | |
| SCHEMBL30455704 | 0.67 | — | — |
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-2020040571-A1 | NOVEL COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE USING SAME | 주식회사 엘지화학 | 2020-02-27 | — | — | WO | disclosed |