⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL788493 | 0.75 | — | — | |
| SCHEMBL5260694 | 0.75 | — | — | |
| SCHEMBL1586143 | 0.75 | — | — | |
| Ammonia Solution, Strong SCHEMBL28432870 | 0.73 | LMNA (0.48) | — | |
| SCHEMBL23748348 | 0.73 | LMNA (0.63) | — | |
| SCHEMBL13328683 | 0.71 | — | — | |
| SCHEMBL750822 | 0.71 | — | — | |
| SCHEMBL18612796 | 0.71 | — | — | |
| SCHEMBL4217235 | 0.71 | — | — | |
| SCHEMBL3757062 | 0.71 | — | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-117886824-A | 2, 3-dihydropyrimido [4,5-d ] pyrimidine-4 (1H) -ketone derivative, preparation method and application thereof | 四川大学华西医院 | 2024-04-16 | — | — | CN | claimed |
| CN-117886824-B | 2, 3-Dihydropyrimido [4,5-d ] pyrimidine-4 (1H) -ketone derivative, preparation method and application thereof | 四川大学华西医院 | 2026-05-15 | — | — | CN | disclosed |
| CN-117886824-A | 2, 3-dihydropyrimido [4,5-d ] pyrimidine-4 (1H) -ketone derivative, preparation method and application thereof | 四川大学华西医院 | 2024-04-16 | — | — | CN | disclosed |
| US-11772085-B2 | Far superior oxidation catalysts based on macrocyclic compounds | CARNEGIE MELLON UNIVERSITY (US) | 2023-10-03 | — | — | US | disclosed |
| EP-4015511-A1 | OXIDATION CATALYSTS BASED ON MACROCYCLIC COMPOUNDS | CARNEGIE MELLON UNIVERSITY (US) | 2022-06-22 | — | — | EP | disclosed |
| CN-1138546-C | Certain 1, 4, 5 -tri- substituted imidazole compounds useful as cytokine | ʷ��˿�������ȳ�ķ����˾ | 2004-02-18 | — | — | CN | disclosed |
| CN-1177299-A | Certain 1, 4, 5 -tri- substituted imidazole compounds useful as cytokine | SMITHKLINE BEECHAM CORP (US) | 1998-03-25 | — | — | CN | disclosed |
| EP-0046856-A2 | Process for preparing 4-amino-2-mercapto-pyrimidines | HÜLS TROISDORF AKTIENGESELLSCHAFT (DE) | 1982-03-10 | — | — | EP | disclosed |