⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12056175 | 0.85 | ADRA2C (0.30) | — | |
| SCHEMBL20278694 | 0.76 | ADRA2C (0.35) | — | |
| SCHEMBL106970 | 0.76 | ADRA2C (0.35) | — | |
| SCHEMBL20210207 | 0.74 | L3MBTL1 (0.31) | — | |
| SCHEMBL14263555 | 0.73 | ALDH1A1 (0.39) | — | |
| SCHEMBL22045834 | 0.73 | — | — | |
| SCHEMBL24837513 | 0.71 | F2 (0.37) | — | |
| SCHEMBL15998825 | 0.71 | PDE5A (0.34) | — | |
| SCHEMBL14564574 | 0.71 | — | — | |
| SCHEMBL15160944 | 0.71 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080194561-A1 | carboxyamide thiophenes and medicaments containing the same as well as processes for the preparation and use of such compounds, compositions and medicaments, particularly in diseases associated with inappropriate Aurora activity. | SMITHKLINE BEECHAM CORPORATION | 2008-08-14 | — | — | US | disclosed |