⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9883255 | 0.99 | KDM4E (0.30) | — | |
| SCHEMBL10175316 | 0.91 | — | — | |
| SCHEMBL9883184 | 0.90 | — | — | |
| SCHEMBL13195911 | 0.88 | KDM4E (0.38) | — | |
| SCHEMBL13493190 | 0.87 | KDM4E (0.38) | — | |
| SCHEMBL15257530 | 0.87 | KDM4E (0.39) | — | |
| SCHEMBL22448033 | 0.86 | — | — | |
| SCHEMBL12990707 | 0.86 | KDM4E (0.33) | — | |
| SCHEMBL15257579 | 0.86 | MEN1 (0.39) | — | |
| SCHEMBL22698887 | 0.85 | — | — |
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-2012069121-A1 | MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2012-05-31 | — | — | WO | disclosed |