⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25127101 | 0.96 | — | — | |
| SCHEMBL25127104 | 0.91 | KDM4E (0.32) | — | |
| SCHEMBL25126871 | 0.91 | KDM4E (0.32) | — | |
| SCHEMBL25127993 | 0.91 | — | — | |
| SCHEMBL25128104 | 0.90 | — | — | |
| SCHEMBL25128124 | 0.89 | KDM4E (0.31) | — | |
| SCHEMBL25810252 | 0.88 | KDM4E (0.30) | — | |
| SCHEMBL25126808 | 0.88 | KDM4E (0.33) | — | |
| SCHEMBL22795340 | 0.88 | KDM4E (0.33) | — | |
| SCHEMBL25127109 | 0.86 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20230096132-A1 | CYCLOALKANE-FUSED POLYCYCLIC AROMATIC COMPOUND | KWANSEI GAKUIN EDUCATIONAL FOUNDATION (JP) | 2023-03-30 | — | — | US | disclosed |