⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2048749 | 1.00 | — | — | |
| SCHEMBL13070424 | 0.92 | CYP2D6 (0.32) | — | |
| SCHEMBL9549249 | 0.89 | HRH3 (0.33) | — | |
| SCHEMBL796532 | 0.83 | — | — | |
| SCHEMBL13070423 | 0.81 | — | — | |
| SCHEMBL14471714 | 0.81 | CARM1 (0.31) | — | |
| SCHEMBL14268215 | 0.81 | PIK3CD (0.34) | — | |
| SCHEMBL7021675 | 0.78 | — | — | |
| SCHEMBL14454186 | 0.77 | — | — | |
| SCHEMBL9186089 | 0.77 | GNAO1 (0.41) | — |
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-6908919-B2 | Substituted polycyclic aryl and heteroaryl pyrazinones useful for selective inhibition of the coagulation cascade | PHARMACIA CORPORATION (US) | 2005-06-21 | — | — | US | disclosed |