⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16482326 | 0.75 | — | — | |
| SCHEMBL12260151 | 0.71 | — | — | |
| SCHEMBL18418425 | 0.70 | — | — | |
| SCHEMBL22766212 | 0.70 | — | — | |
| SCHEMBL22734341 | 0.70 | — | — | |
| SCHEMBL3390306 | 0.69 | — | — | |
| SCHEMBL22766213 | 0.69 | — | — | |
| SCHEMBL15091620 | 0.69 | EGFR (0.30) | — | |
| SCHEMBL18942523 | 0.69 | — | — | |
| SCHEMBL16977157 | 0.69 | — | — |
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-2020251049-A1 | POLYCYCLIC AROMATIC COMPOUND | 学校法人関西学院 | 2020-12-17 | — | — | WO | disclosed |