⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17966730 | 0.85 | — | — | |
| SCHEMBL17476751 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL4766167 | 0.64 | — | — | |
| SCHEMBL16794109 | 0.61 | — | — | |
| SCHEMBL2297041 | 0.61 | — | — | |
| SCHEMBL16517721 | 0.55 | — | — | |
| SCHEMBL28302994 | 0.54 | — | — | |
| SCHEMBL29092306 | 0.54 | GABRR1 (0.33) | — | |
| SCHEMBL18871698 | 0.54 | GABRR1 (0.33) | — | |
| SCHEMBL30707557 | 0.52 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021040422-A1 | NOVEL PYRIMIDO[4,5-D]PYRIMIDINE-2-ONE DERIVATIVE HAVING PROTEIN KINASE INHIBITORY ACTIVITY | 한국과학기술연구원 | 2021-03-04 | — | — | WO | claimed |
| US-20070155730-A1 | Benzodiazepine And Benzopiperazine Analog Inhibitors Of Histone Deacetylase | METHYLGENE, INC. (CA) | 2007-07-05 | — | — | US | claimed |
| WO-2021040422-A1 | NOVEL PYRIMIDO[4,5-D]PYRIMIDINE-2-ONE DERIVATIVE HAVING PROTEIN KINASE INHIBITORY ACTIVITY | 한국과학기술연구원 | 2021-03-04 | — | — | WO | disclosed |
| US-20070155730-A1 | Benzodiazepine And Benzopiperazine Analog Inhibitors Of Histone Deacetylase | METHYLGENE, INC. (CA) | 2007-07-05 | — | — | US | disclosed |