⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24111503 | 0.92 | — | — | |
| SCHEMBL27656744 | 0.77 | NOS2 (0.33) | — | |
| SCHEMBL8245418 | 0.73 | — | — | |
| SCHEMBL11942459 | 0.73 | — | — | |
| SCHEMBL13686684 | 0.73 | — | — | |
| SCHEMBL1298622 | 0.72 | — | — | |
| SCHEMBL17904505 | 0.72 | — | — | |
| SCHEMBL6280246 | 0.72 | — | — | |
| SCHEMBL16453949 | 0.72 | — | — | |
| SCHEMBL2331833 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-119855810-A | General method for generating axial chirality through chiral accompaniment strategy and preparing axial chirality aromatic tertiary amine nitroxide ligand compound | 中国科学院成都有机化学有限公司 | 2025-04-18 | — | — | CN | disclosed |