⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12124646 | 1.00 | — | — | |
| SCHEMBL13885624 | 1.00 | — | — | |
| SCHEMBL13117961 | 0.87 | DPP4 (0.30) | — | |
| SCHEMBL773506 | 0.86 | GNAI3 (0.32) | — | |
| SCHEMBL12129040 | 0.77 | CHRNA7 (0.31) | — | |
| SCHEMBL12129011 | 0.77 | CHRNA7 (0.31) | — | |
| SCHEMBL25746459 | 0.77 | CHRNA7 (0.31) | — | |
| SCHEMBL19154844 | 0.74 | — | — | |
| SCHEMBL25746464 | 0.72 | DPP4 (0.33) | — | |
| SCHEMBL13389359 | 0.70 | CA1 (0.34) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20090264498-A1 | Cathepsin C Inhibitors | GLAXO GROUP LIMITED (GB) | 2009-10-22 | — | — | US | disclosed |
| US-20090264499-A1 | Cathepsin C Inhibitors | GLAXO GROUP LIMITED (GB) | 2009-10-22 | — | — | US | disclosed |
| US-7514442-B2 | Trisubstituted 4-aminopyrazolopyrimidines as cyclin dependent kinase inhibitors | SCHERING CORPORATION (US) | 2009-04-07 | — | — | US | disclosed |
| US-7205308-B2 | Trisubstituted 7-aminopyrazolopyrimidines as cyclin dependent kinase inhibitors | SCHERING CORPORATION (US) | 2007-04-17 | — | — | US | disclosed |