⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4236835 | 0.85 | PRKCQ (0.30) | — | |
| SCHEMBL4235315 | 0.81 | PDE4A (0.31) | — | |
| SCHEMBL4234336 | 0.79 | — | — | |
| SCHEMBL4230852 | 0.78 | PDE4A (0.45) | — | |
| SCHEMBL4016579 | 0.75 | MAOA (0.33) | — | |
| SCHEMBL4062215 | 0.75 | KDR (0.34) | — | |
| SCHEMBL4238264 | 0.74 | PDE4B (0.36) | — | |
| SCHEMBL4235159 | 0.73 | HTR6 (0.34) | — | |
| SCHEMBL4053970 | 0.73 | KDM4E (0.31) | — | |
| SCHEMBL4228415 | 0.70 | MAP4K1 (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2009115874-A2 | NOVEL HETEROCYCLIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESSES FOR THEIR PREPARATION | MATRIX LABORATORIES LTD. (IN) | 2009-09-24 | — | — | WO | disclosed |
| WO-2009115874-A2 | NOVEL HETEROCYCLIC COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESSES FOR THEIR PREPARATION | MATRIX LABORATORIES LTD. (IN) | 2009-09-24 | — | — | WO | disclosed |