⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15275847 | 0.84 | PDK2 (0.36) | — | |
| SCHEMBL22057482 | 0.83 | — | — | |
| SCHEMBL4554311 | 0.83 | PDK2 (0.35) | — | |
| SCHEMBL4554952 | 0.81 | PARP14 (0.39) | — | |
| SCHEMBL16437711 | 0.81 | — | — | |
| SCHEMBL15274107 | 0.81 | — | — | |
| SCHEMBL10018865 | 0.79 | MLNR (0.36) | — | |
| SCHEMBL17125711 | 0.79 | PDK2 (0.31) | — | |
| SCHEMBL4554312 | 0.79 | PGR (0.38) | — | |
| SCHEMBL17126825 | 0.79 | ALOX5 (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 |
|---|---|---|---|---|---|---|---|
| EP-2889296-A1 | COMPOUND FOR ORGANIC OPTOELECTRIC DEVICE, ORGANIC LIGHT-EMITTING DIODE INCLUDING SAME, AND DISPLAY DEVICE INCLUDING ORGANIC LIGHT-EMITTING DIODE | Cheil Industries Inc. (KR) | 2015-07-01 | — | — | EP | disclosed |