⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24637688 | 0.91 | PRF1 (0.31) | — | |
| SCHEMBL21156751 | 0.86 | ALDH1A1 (0.31) | — | |
| SCHEMBL21155817 | 0.85 | ALDH1A1 (0.32) | — | |
| SCHEMBL21156757 | 0.85 | ALDH1A1 (0.32) | — | |
| SCHEMBL21156746 | 0.84 | ALDH1A1 (0.30) | — | |
| SCHEMBL24637708 | 0.84 | — | — | |
| SCHEMBL21706460 | 0.84 | — | — | |
| SCHEMBL21335623 | 0.83 | — | — | |
| SCHEMBL21706385 | 0.82 | PRF1 (0.34) | — | |
| SCHEMBL21156246 | 0.82 | ALDH1A1 (0.30) | — |
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-3306690-B1 | ORGANIC SEMICONDUCTING COMPOUNDS | RAYNERGY TEK INC (TW) | 2022-09-07 | — | — | EP | disclosed |