⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18814319 | 0.94 | — | — | |
| SCHEMBL18814586 | 0.92 | — | — | |
| SCHEMBL18814702 | 0.90 | — | — | |
| SCHEMBL18544800 | 0.87 | — | — | |
| SCHEMBL18544936 | 0.84 | CYP2D6 (0.32) | — | |
| SCHEMBL18544924 | 0.80 | — | — | |
| SCHEMBL18544801 | 0.79 | — | — | |
| SCHEMBL18544997 | 0.79 | — | — | |
| SCHEMBL18543841 | 0.78 | ALDH1A1 (0.30) | — | |
| SCHEMBL18543836 | 0.77 | — | — |
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-2017073942-A1 | ELECTRON BUFFERING MATERIALS, ELECTRON TRANSPORT MATERIALS AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME | ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) | 2017-05-04 | — | — | WO | disclosed |