⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14345114 | 0.83 | CNR2 (0.40) | — | |
| SCHEMBL13780984 | 0.79 | PDK2 (0.40) | — | |
| SCHEMBL14374315 | 0.78 | L3MBTL1 (0.43) | — | |
| SCHEMBL13780992 | 0.76 | PDK2 (0.40) | — | |
| SCHEMBL18086211 | 0.75 | KDM4E (0.40) | — | |
| SCHEMBL19039411 | 0.72 | KDM4E (0.36) | — | |
| SCHEMBL782757 | 0.72 | PDK2 (0.35) | — | |
| SCHEMBL14425824 | 0.72 | KDM4E (0.38) | — | |
| SCHEMBL17038411 | 0.71 | KDM4E (0.36) | — | |
| SCHEMBL16848795 | 0.71 | KDM4E (0.36) | — |
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-2024465-B1 | NEW MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2016-01-13 | — | — | EP | disclosed |