⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22815795 | 0.96 | HSD11B1 (0.30) | — | |
| SCHEMBL22815676 | 0.94 | — | — | |
| SCHEMBL22815380 | 0.94 | — | — | |
| SCHEMBL22815504 | 0.90 | CYP1A2 (0.31) | — | |
| SCHEMBL24422038 | 0.86 | LMNA (0.33) | — | |
| SCHEMBL24422045 | 0.85 | LMNA (0.33) | — | |
| SCHEMBL22815510 | 0.83 | LMNA (0.30) | — | |
| SCHEMBL24422040 | 0.82 | LMNA (0.33) | — | |
| SCHEMBL26360730 | 0.81 | LMNA (0.33) | — | |
| SCHEMBL21966491 | 0.81 | ALDH1A1 (0.36) | — |
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-2020253445-A1 | ORGANIC ELECTROLUMINESCENT MATERIAL AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME | 陕西莱特光电材料股份有限公司 | 2020-12-24 | — | — | WO | disclosed |