⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2342947 | 0.77 | — | — | |
| SCHEMBL22363097 | 0.73 | L3MBTL1 (0.30) | — | |
| SCHEMBL9065833 | 0.69 | — | — | |
| SCHEMBL2825781 | 0.69 | — | — | |
| SCHEMBL22632990 | 0.69 | L3MBTL1 (0.31) | — | |
| SCHEMBL30130704 | 0.67 | — | — | |
| Acetic Acid SCHEMBL11542941 | 0.67 | FFAR3 (0.44) | — | |
| Trifluoroacetic Acid SCHEMBL5371572 | 0.67 | ALDH1A1 (0.43) | — | |
| SCHEMBL28707490 | 0.66 | TSHR (0.39) | — | |
| SCHEMBL9253 | 0.66 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2195303-A2 | 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) | 2010-06-16 | — | — | EP | disclosed |
| WO-2009038752-A2 | 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) | 2009-03-26 | — | — | WO | disclosed |