⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL349140 | 0.67 | ALDH1A1 (0.30) | — | |
| SCHEMBL22027526 | 0.66 | — | — | |
| SCHEMBL29177847 | 0.58 | — | — | |
| SCHEMBL4849512 | 0.57 | — | — | |
| SCHEMBL29143212 | 0.54 | — | — | |
| SCHEMBL17666446 | 0.53 | — | — | |
| SCHEMBL4854544 | 0.53 | — | — | |
| SCHEMBL24251348 | 0.51 | ALDH1A1 (0.33) | — | |
| SCHEMBL4849524 | 0.51 | CDC25A (0.32) | — | |
| SCHEMBL80696 | 0.50 | MLNR (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-118339941-A | Mixed powder and method for producing same, method for producing organic electroluminescent element using same, method for selecting compound in mixed powder, and composition for vacuum vapor deposition | 出光兴产株式会社 | 2024-07-12 | — | — | CN | disclosed |
| CN-117616909-A | Mixed powder for organic electroluminescent element and method for producing same, method for producing organic electroluminescent element using same, method for selecting compound in mixed powder, and composition for vacuum evaporation | 出光兴产株式会社 | 2024-02-27 | — | — | CN | disclosed |