⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26053873 | 0.93 | — | — | |
| SCHEMBL26053815 | 0.93 | CHRNA1 (0.30) | — | |
| SCHEMBL26056586 | 0.93 | — | — | |
| SCHEMBL26053825 | 0.92 | CHRNA1 (0.32) | — | |
| SCHEMBL26280933 | 0.92 | PDK2 (0.31) | — | |
| SCHEMBL26053870 | 0.91 | PDK2 (0.34) | — | |
| SCHEMBL26065607 | 0.90 | PDK2 (0.31) | — | |
| SCHEMBL26063608 | 0.90 | PDK2 (0.33) | — | |
| SCHEMBL26053865 | 0.90 | — | — | |
| SCHEMBL26065608 | 0.89 | PDK2 (0.31) | — |
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-2023162947-A1 | COMPOUND, ORGANIC ELECTROLUMINESCENT ELEMENT MATERIAL, ORGANIC ELECTROLUMINESCENT ELEMENT, AND ELECTRONIC DEVICE | 出光興産株式会社 | 2023-08-31 | — | — | WO | disclosed |