⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24356287 | 0.87 | — | — | |
| SCHEMBL22924413 | 0.86 | ALOX5 (0.34) | — | |
| SCHEMBL24356599 | 0.85 | CYP1A1 (0.31) | — | |
| SCHEMBL24886488 | 0.85 | ALDH1A1 (0.32) | — | |
| SCHEMBL23285486 | 0.85 | — | — | |
| SCHEMBL24886834 | 0.84 | ALDH1A1 (0.32) | — | |
| SCHEMBL24889981 | 0.84 | ALDH1A1 (0.32) | — | |
| SCHEMBL24384118 | 0.84 | ALOX5 (0.35) | — | |
| SCHEMBL24890243 | 0.84 | — | — | |
| SCHEMBL24230856 | 0.84 | ALOX5 (0.33) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022086296-A1 | ORGANIC LIGHT-EMITTING DEVICE | 주식회사 엘지화학 | 2022-04-28 | — | — | WO | disclosed |
| WO-2022086297-A1 | ORGANIC LIGHT-EMITTING DEVICE | 주식회사 엘지화학 | 2022-04-28 | — | — | WO | disclosed |