⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4322486 | 1.00 | — | — | |
| SCHEMBL16648848 | 1.00 | — | — | |
| SCHEMBL25966636 | 0.82 | — | — | |
| SCHEMBL22735780 | 0.82 | — | — | |
| SCHEMBL25967168 | 0.80 | ACACB (0.36) | — | |
| SCHEMBL11642485 | 0.80 | — | — | |
| SCHEMBL19859594 | 0.78 | CTSS (0.36) | — | |
| SCHEMBL25967009 | 0.78 | CYP2C9 (0.42) | — | |
| SCHEMBL19859599 | 0.78 | CTSS (0.33) | — | |
| SCHEMBL23894819 | 0.77 | CTSS (0.35) | — |
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 6 patents. 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 |
| CN-112262129-A | Triazacyclododecane sulfonamide (\"TCD\") based protein secretion inhibitors | 科智生命科学公司 | 2021-01-22 | — | — | CN | disclosed |
| US-20100267728-A1 | 3-SUBSTITUTED-1,2,3-TRIAZIN-4-ONE'S AND 3 SUBSTITUTED 1,3-PYRIMIDINONE'S FOR ENHANCING GLUTAMATERGIC SYNAPTIC RESPONSES | CORTEX PHARMACEUTICALS, INC. (US) | 2010-10-21 | — | — | US | disclosed |
| EP-1874117-A1 | POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY | SmithKline Beecham Corporation (US) | 2008-01-09 | — | — | EP | disclosed |
| WO-2006116764-A1 | POLYCYCLIC CARBAMOYLPYRIDONE DERIVATIVE HAVING HIV INTEGRASE INHIBITORY ACTIVITY | SMITHKLINE BEECHAM CORPORATION (US) | 2006-11-02 | — | — | WO | disclosed |
| US-5637613-A | ANTITUMOR AGENT; IMMUNOSUPPRESSANTS | FOURNIER INDUSTRIE ET SANTE (FR) | 1997-06-10 | — | — | US | disclosed |