⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL435016 | 0.87 | TSHR (0.33) | — | |
| SCHEMBL2139065 | 0.86 | ALDH1A1 (0.33) | — | |
| SCHEMBL2865721 | 0.82 | — | — | |
| SCHEMBL3678777 | 0.82 | ALDH1A1 (0.37) | — | |
| SCHEMBL3683189 | 0.82 | NAAA (0.38) | — | |
| SCHEMBL3685424 | 0.80 | NAAA (0.41) | — | |
| SCHEMBL214602 | 0.80 | — | — | |
| SCHEMBL37003 | 0.80 | — | — | |
| SCHEMBL3682743 | 0.80 | NAAA (0.41) | — | |
| SCHEMBL3689809 | 0.80 | NAAA (0.41) | — |
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-119613899-A | High-strength toughened CPVC pipe and preparation method thereof | 上海贝思特管业有限公司 | 2025-03-14 | — | — | CN | claimed |
| CN-119613899-A | High-strength toughened CPVC pipe and preparation method thereof | 上海贝思特管业有限公司 | 2025-03-14 | — | — | CN | disclosed |