⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3154039 | 0.67 | KCNH2 (0.36) | — | |
| SCHEMBL3226297 | 0.60 | CDK4 (0.31) | — | |
| SCHEMBL31497023 | 0.60 | PDE5A (0.30) | — | |
| SCHEMBL2932298 | 0.58 | KCNH2 (0.46) | — | |
| SCHEMBL31497032 | 0.57 | — | — | |
| SCHEMBL31057621 | 0.56 | NOTUM (0.32) | — | |
| SCHEMBL4554113 | 0.56 | NOTUM (0.32) | — | |
| SCHEMBL3145732 | 0.56 | — | — | |
| SCHEMBL31496992 | 0.54 | BRD4 (0.31) | — | |
| SCHEMBL13070856 | 0.54 | KCNH2 (0.45) | — |
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-20100056502-A1 | COMPOUNDS | GLAXO GROUP LIMITED (GB) | 2010-03-04 | — | — | US | disclosed |