⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24357282 | 0.83 | — | — | |
| SCHEMBL24948810 | 0.83 | — | — | |
| SCHEMBL24947157 | 0.83 | PIM1 (0.33) | — | |
| SCHEMBL21926135 | 0.81 | ALOX5 (0.31) | — | |
| SCHEMBL21926324 | 0.79 | BRDT (0.33) | — | |
| SCHEMBL24973381 | 0.79 | AHR (0.32) | — | |
| SCHEMBL21926325 | 0.78 | ALOX5 (0.37) | — | |
| SCHEMBL24949935 | 0.78 | ALDH1A1 (0.33) | — | |
| SCHEMBL24889947 | 0.78 | ALDH1A1 (0.31) | — | |
| SCHEMBL21926150 | 0.78 | ALOX5 (0.32) | — |
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-2023003403-A1 | ORGANIC LIGHT-EMITTING DEVICE | 주식회사 엘지화학 | 2023-01-26 | — | — | WO | disclosed |