⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25930264 | 0.96 | ALDH1A1 (0.30) | — | |
| SCHEMBL17725990 | 0.87 | KDM4E (0.33) | — | |
| SCHEMBL20733760 | 0.83 | ALDH1A1 (0.37) | — | |
| SCHEMBL22428525 | 0.81 | NOTUM (0.38) | — | |
| SCHEMBL23511652 | 0.81 | — | — | |
| SCHEMBL18786340 | 0.81 | GAA (0.39) | — | |
| SCHEMBL18731829 | 0.80 | GAA (0.41) | — | |
| SCHEMBL18562487 | 0.79 | ALDH1A1 (0.40) | — | |
| SCHEMBL18787216 | 0.79 | TAAR1 (0.38) | — | |
| SCHEMBL18786354 | 0.79 | CYP1A2 (0.40) | — |
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-2024071852-A1 | COMPOSITION FOR OPTOELECTRONIC DEVICE, AND ORGANIC OPTOELECTRONIC DEVICE AND DISPLAY DEVICE | 삼성에스디아이 주식회사 | 2024-04-04 | — | — | WO | disclosed |