⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3806452 | 0.97 | — | — | |
| SCHEMBL19403915 | 0.97 | — | — | |
| SCHEMBL18265649 | 0.97 | — | — | |
| SCHEMBL109550 | 0.75 | TSHR (0.33) | — | |
| SCHEMBL109549 | 0.75 | TSHR (0.33) | — | |
| SCHEMBL17764763 | 0.75 | TSHR (0.33) | — | |
| SCHEMBL13679644 | 0.75 | — | — | |
| SCHEMBL23656178 | 0.75 | — | — | |
| SCHEMBL2875434 | 0.73 | — | — | |
| SCHEMBL22197388 | 0.73 | — | — |
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-109762027-A | para-aryl-containing substituted α -diimine nickel complex and preparation method and application thereof | 合肥工业大学 | 2019-05-17 | — | — | CN | disclosed |