⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16424740 | 0.90 | GPR84 (0.32) | — | |
| SCHEMBL22243408 | 0.89 | PDK2 (0.30) | — | |
| SCHEMBL16424714 | 0.89 | DNMT1 (0.30) | — | |
| SCHEMBL19684083 | 0.88 | — | — | |
| SCHEMBL16424739 | 0.87 | PDK2 (0.30) | — | |
| SCHEMBL16424737 | 0.87 | PDK2 (0.35) | — | |
| SCHEMBL19849991 | 0.86 | PDK2 (0.38) | — | |
| SCHEMBL25858135 | 0.86 | DNMT1 (0.33) | — | |
| SCHEMBL16424718 | 0.86 | PDK2 (0.37) | — | |
| SCHEMBL16870938 | 0.86 | — | — |
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-2015012618-A1 | ORGANIC ELECTROLUMINESCENT COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING THE SAME | ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) | 2015-01-29 | — | — | WO | disclosed |