⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3721677 | 0.73 | — | — | |
| SCHEMBL16079857 | 0.67 | — | — | |
| SCHEMBL11882952 | 0.64 | — | — | |
| SCHEMBL7519405 | 0.63 | — | — | |
| SCHEMBL10031753 | 0.63 | — | — | |
| SCHEMBL14476936 | 0.63 | TSHR (0.30) | — | |
| SCHEMBL4499271 | 0.62 | — | — | |
| SCHEMBL21321262 | 0.60 | — | — | |
| SCHEMBL14777643 | 0.59 | TSHR (0.31) | — | |
| SCHEMBL5181785 | 0.59 | — | — |
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-114075194-A | Substituted heteroaryl compounds, compositions and uses thereof | 广东东阳光药业有限公司 | 2022-02-22 | — | — | CN | disclosed |