⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10932800 | 0.74 | TSHR (0.67) | — | |
| SCHEMBL28223604 | 0.74 | — | — | |
| SCHEMBL11504872 | 0.73 | TSHR (0.46) | — | |
| SCHEMBL16121041 | 0.73 | — | — | |
| SCHEMBL3628455 | 0.69 | TSHR (0.60) | — | |
| SCHEMBL3629254 | 0.69 | TSHR (0.60) | — | |
| SCHEMBL143036 | 0.69 | — | — | |
| SCHEMBL1958542 | 0.69 | TSHR (0.41) | — | |
| SCHEMBL31142001 | 0.69 | TSHR (0.46) | — | |
| SCHEMBL29273359 | 0.67 | TSHR (0.57) | — |
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 |