⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21427265 | 0.73 | — | — | |
| SCHEMBL4572169 | 0.73 | MEN1 (0.33) | — | |
| SCHEMBL22461841 | 0.71 | MEN1 (0.30) | — | |
| SCHEMBL20763278 | 0.70 | — | — | |
| SCHEMBL11933903 | 0.66 | — | — | |
| SCHEMBL20231836 | 0.64 | — | — | |
| SCHEMBL13347183 | 0.64 | KDM4E (0.34) | — | |
| SCHEMBL24064251 | 0.63 | — | — | |
| SCHEMBL21850709 | 0.63 | ESR2 (0.30) | — | |
| SCHEMBL12917850 | 0.63 | — | — |
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-4001338-A1 | CATIONIC EPOXY COMPOSITIONS | Henkel AG & Co. KGaA (DE) | 2022-05-25 | — | — | EP | disclosed |