⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22162612 | 0.80 | — | — | |
| SCHEMBL15109619 | 0.76 | — | — | |
| SCHEMBL15492485 | 0.76 | NQO1 (0.31) | — | |
| SCHEMBL1053159 | 0.75 | — | — | |
| SCHEMBL29732964 | 0.74 | — | — | |
| SCHEMBL17188850 | 0.74 | — | — | |
| SCHEMBL30798549 | 0.74 | — | — | |
| SCHEMBL17881728 | 0.74 | — | — | |
| SCHEMBL6261221 | 0.72 | — | — | |
| SCHEMBL4389326 | 0.71 | TSHR (0.33) | — |
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-2023170024-A1 | CAMK2 MODULATORS AND THEIR USE IN MEDICINE | UNIVERSITY OF COPENHAGEN (DK) | 2023-09-14 | — | — | WO | disclosed |
| WO-2009095789-A1 | SUBSTITUTED ARYLAMIDE DIAZEPINOPYRIMIDONE DERIVATIVES FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES CAUSED BY ABNORMAL ACTIVITY OF GSK3-BETA | SANOFI-AVENTIS (FR) | 2009-08-06 | — | — | WO | disclosed |
| WO-2008103351-A2 | HETEROCYCLIC ASPARTYL PROTEASE INHIBITORS | SCHERING CORPORATION (US) | 2008-08-28 | — | — | WO | disclosed |
| WO-2007110237-A2 | AMIDE DERIVATIVES AND THEIR APPLICATION FOR THE TREATMENT OF G PROTEIN RELATED DISEASES | NOVARTIS AG (CH) | 2007-10-04 | — | — | WO | disclosed |