⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28518601 | 1.00 | — | — | |
| SCHEMBL14801544 | 1.00 | — | — | |
| SCHEMBL21359205 | 0.85 | CYP2D6 (0.70) | — | |
| SCHEMBL22627065 | 0.82 | GABBR2 (0.40) | — | |
| SCHEMBL21452947 | 0.81 | — | — | |
| SCHEMBL21453025 | 0.81 | — | — | |
| SCHEMBL19442769 | 0.81 | — | — | |
| SCHEMBL910050 | 0.81 | CYP2C19 (0.81) | — | |
| SCHEMBL19131707 | 0.80 | GABBR2 (0.39) | — | |
| SCHEMBL1261996 | 0.78 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112262129-B | Triazacyclododecanesulfonamide (\"TCD\") based protein secretion inhibitors | 科智生命科学公司 | 2024-05-14 | — | — | CN | disclosed |