⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL14190805 | 0.77 | PTGS1 (0.33) | — | |
| SCHEMBL13564629 | 0.71 | — | — | |
| SCHEMBL14429092 | 0.69 | — | — | |
| SCHEMBL4444235 | 0.69 | — | — | |
| SCHEMBL8915247 | 0.69 | — | — | |
| SCHEMBL13721483 | 0.67 | — | — | |
| SCHEMBL1270866 | 0.65 | TSHR (0.30) | — | |
| SCHEMBL1270865 | 0.65 | TSHR (0.30) | — | |
| SCHEMBL24465000 | 0.65 | — | — | |
| SCHEMBL16001975 | 0.65 | — | — |
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-113402461-B | Method for preparing guaiazupyridine type sesquiterpene alkaloid | 中国科学院新疆理化技术研究所 | 2023-02-03 | — | — | CN | claimed |
| CN-113402461-B | Method for preparing guaiazupyridine type sesquiterpene alkaloid | 中国科学院新疆理化技术研究所 | 2023-02-03 | — | — | CN | disclosed |