⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29473567 | 0.71 | IDO1 (0.31) | — | |
| SCHEMBL27458463 | 0.70 | IDO1 (0.30) | — | |
| SCHEMBL28599272 | 0.69 | — | — | |
| SCHEMBL28869249 | 0.62 | — | — | |
| SCHEMBL27839465 | 0.61 | ALDH1A1 (0.32) | — | |
| SCHEMBL5176273 | 0.61 | — | — | |
| SCHEMBL4609898 | 0.61 | — | — | |
| SCHEMBL31299755 | 0.58 | — | — | |
| SCHEMBL20184140 | 0.55 | — | — | |
| SCHEMBL20769876 | 0.54 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-113646915-B | Organic light emitting device | 株式会社LG化学 | 2024-03-19 | — | — | CN | disclosed |