⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25733612 | 0.78 | ALDH1A1 (0.35) | — | |
| SCHEMBL10071338 | 0.75 | — | — | |
| SCHEMBL16500988 | 0.71 | NPSR1 (0.34) | — | |
| SCHEMBL21041997 | 0.69 | — | — | |
| SCHEMBL22456971 | 0.68 | — | — | |
| SCHEMBL22404063 | 0.67 | ALDH1A1 (0.35) | — | |
| SCHEMBL21168402 | 0.67 | SIGMAR1 (0.44) | — | |
| SCHEMBL12888083 | 0.67 | PER2 (0.34) | — | |
| SCHEMBL18400777 | 0.66 | NPSR1 (0.36) | — | |
| SCHEMBL24899608 | 0.66 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20110024736-A1 | ORGANIC ELECTROLUMINESCENT ELEMENT AND DISPLAY | SONY CORPORATION (JP) | 2011-02-03 | — | — | US | disclosed |