⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17533072 | 0.90 | KDM4E (0.30) | — | |
| SCHEMBL17012663 | 0.84 | SIRT2 (0.39) | — | |
| SCHEMBL17661314 | 0.83 | ALK (0.40) | — | |
| SCHEMBL17573972 | 0.81 | PLA2G2A (0.34) | — | |
| SCHEMBL17533138 | 0.79 | GAA (0.41) | — | |
| SCHEMBL17660914 | 0.78 | SIRT2 (0.43) | — | |
| SCHEMBL17573767 | 0.77 | ALOX5 (0.40) | — | |
| SCHEMBL17779594 | 0.72 | ALK (0.41) | — | |
| SCHEMBL17573970 | 0.72 | ALOX5 (0.33) | — | |
| SCHEMBL17533069 | 0.71 | NPSR1 (0.33) | — |
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-2016013867-A1 | ORGANIC ELECTROLUMINESCENT DEVICE | ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) | 2016-01-28 | — | — | WO | disclosed |