⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14099537 | 0.81 | — | — | |
| SCHEMBL8093135 | 0.81 | — | — | |
| SCHEMBL18673964 | 0.74 | — | — | |
| SCHEMBL13465549 | 0.71 | — | — | |
| SCHEMBL18993785 | 0.70 | — | — | |
| SCHEMBL18673890 | 0.69 | — | — | |
| SCHEMBL19954860 | 0.68 | — | — | |
| SCHEMBL24096455 | 0.68 | — | — | |
| SCHEMBL13881539 | 0.65 | — | — | |
| SCHEMBL22427669 | 0.65 | — | — |
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 2 patents. 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 |
| WO-2020251049-A1 | POLYCYCLIC AROMATIC COMPOUND | 学校法人関西学院 | 2020-12-17 | — | — | WO | disclosed |