⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL128084 | 0.82 | — | — | |
| SCHEMBL10590366 | 0.82 | — | — | |
| SCHEMBL29025755 | 0.82 | — | — | |
| SCHEMBL11052436 | 0.82 | — | — | |
| SCHEMBL10801965 | 0.82 | — | — | |
| SCHEMBL27489259 | 0.82 | — | — | |
| SCHEMBL363823 | 0.82 | — | — | |
| SCHEMBL5312551 | 0.82 | — | — | |
| SCHEMBL352584 | 0.67 | — | — | |
| SCHEMBL6055192 | 0.67 | — | — |
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-117969799-A | Method for analyzing and researching stone-prone cause | 内蒙古科技大学 | 2024-05-03 | — | — | CN | claimed |
| CN-117969799-A | Method for analyzing and researching stone-prone cause | 内蒙古科技大学 | 2024-05-03 | — | — | CN | disclosed |