⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL73223 | 0.67 | — | — | |
| SCHEMBL30035677 | 0.61 | — | — | |
| SCHEMBL2270798 | 0.58 | — | — | |
| SCHEMBL868737 | 0.58 | — | — | |
| SCHEMBL4066242 | 0.57 | — | — | |
| SCHEMBL14974460 | 0.57 | — | — | |
| SCHEMBL2015423 | 0.55 | — | — | |
| SCHEMBL10866570 | 0.54 | — | — | |
| SCHEMBL4072341 | 0.54 | — | — | |
| SCHEMBL1160445 | 0.51 | — | — |
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-112778328-B | N-heterocyclic carbene catalytic functionalized imine as novel 1, 4-dipole synthesizer and synthesis application thereof | 南京工业大学 | 2023-05-26 | — | — | CN | disclosed |