⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10128106 | 0.79 | TOP2A (0.42) | — | |
| Hydrochloric Acid SCHEMBL335992 | 0.70 | TOP2A (0.37) | — | |
| SCHEMBL3324663 | 0.68 | TOP2A (0.35) | — | |
| SCHEMBL3324013 | 0.68 | TOP2A (0.33) | — | |
| SCHEMBL31485321 | 0.43 | — | — | |
| SCHEMBL19047788 | 0.43 | — | — | |
| SCHEMBL16248116 | 0.39 | — | — | |
| SCHEMBL110031 | 0.34 | MCL1 (0.38) | — | |
| SCHEMBL18459580 | 0.32 | CA12 (0.38) | — | |
| SCHEMBL6364430 | 0.32 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8097628-B2 | Compounds | GLAXO GROUP LIMITED (GB) | 2012-01-17 | — | — | US | disclosed |
| US-20110071155-A1 | Tricyclic Nitrogen Containing Compounds And Their Use As Antibacterials | GLAXO GROUP LIMITED (GB) | 2011-03-24 | — | — | US | disclosed |
| US-20090306089-A1 | COMPOUNDS | GLAXO GROUP LIMITED (GB) | 2009-12-10 | — | — | US | disclosed |