⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10175316 | 0.94 | — | — | |
| SCHEMBL22698887 | 0.94 | — | — | |
| SCHEMBL8737385 | 0.90 | — | — | |
| SCHEMBL21217637 | 0.89 | — | — | |
| SCHEMBL18519015 | 0.87 | KDM4E (0.30) | — | |
| SCHEMBL15805990 | 0.87 | PDE10A (0.32) | — | |
| SCHEMBL9883202 | 0.86 | — | — | |
| SCHEMBL24262941 | 0.86 | — | — | |
| SCHEMBL15490814 | 0.86 | PDE10A (0.32) | — | |
| SCHEMBL9883255 | 0.85 | KDM4E (0.30) | — |
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-3158597-B1 | MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2020-09-23 | — | — | EP | disclosed |