⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12888123 | 0.91 | ALDH1A1 (0.32) | — | |
| SCHEMBL19393509 | 0.88 | ESR1 (0.30) | — | |
| SCHEMBL13862450 | 0.86 | — | — | |
| SCHEMBL13849922 | 0.86 | — | — | |
| SCHEMBL19773071 | 0.85 | PTGES (0.32) | — | |
| SCHEMBL13862953 | 0.82 | — | — | |
| SCHEMBL13700696 | 0.81 | RELA (0.39) | — | |
| SCHEMBL14142830 | 0.81 | RELA (0.39) | — | |
| SCHEMBL13365580 | 0.81 | ALDH1A1 (0.32) | — | |
| SCHEMBL19675022 | 0.81 | TDP1 (0.38) | — |
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-3706182-A1 | ORGANIC ELECTROLUMINESCENT DEVICE | Kyushu University National University Corporation (JP) | 2020-09-09 | — | — | EP | disclosed |