⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8698783 | 0.77 | TSHR (0.43) | — | |
| SCHEMBL1926576 | 0.74 | — | — | |
| SCHEMBL28224224 | 0.74 | — | — | |
| SCHEMBL28713215 | 0.72 | — | — | |
| SCHEMBL10936380 | 0.72 | TSHR (0.40) | — | |
| SCHEMBL5166877 | 0.72 | — | — | |
| SCHEMBL3214992 | 0.70 | — | — | |
| SCHEMBL31426785 | 0.70 | TSHR (0.39) | — | |
| SCHEMBL25330655 | 0.69 | TSHR (0.37) | — | |
| SCHEMBL6681164 | 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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108178724-A | The preparation method of compound | 四川大学 | 2018-06-19 | — | — | CN | claimed |
| CN-108178724-A | The preparation method of compound | 四川大学 | 2018-06-19 | — | — | CN | disclosed |