⚠ 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 | |
|---|---|---|---|---|
| Lithium Ion SCHEMBL29960956 | 0.91 | ALDH1A1 (0.32) | — | |
| Lithium Ion SCHEMBL29960714 | 0.89 | ALDH1A1 (0.31) | — | |
| Lithium Ion SCHEMBL30579931 | 0.83 | — | — | |
| SCHEMBL26568321 | 0.82 | ALDH1A1 (0.42) | — | |
| Lithium Ion SCHEMBL29960955 | 0.80 | ALDH1A1 (0.41) | — | |
| SCHEMBL30579935 | 0.79 | — | — | |
| SCHEMBL26078251 | 0.78 | — | — | |
| SCHEMBL29960937 | 0.78 | — | — | |
| SCHEMBL26078254 | 0.77 | ALDH1A1 (0.31) | — | |
| Lithium Ion SCHEMBL29960877 | 0.77 | — | — |
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-4253389-A1 | COMPOUND, COATING COMPOSITION COMPRISING SAME, ORGANIC LIGHT-EMITTING DEVICE USING SAME, AND MANUFACTURING METHOD THEREFOR | Lg Chem, Ltd. (KR) | 2023-10-04 | — | — | EP | disclosed |