⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21846900 | 1.00 | — | — | |
| Sulfuric Acid SCHEMBL11560759 | 0.89 | KDM4E (0.41) | — | |
| Sulfuric Acid SCHEMBL11560758 | 0.89 | KDM4E (0.41) | — | |
| SCHEMBL21846950 | 0.78 | — | — | |
| SCHEMBL23543287 | 0.76 | — | — | |
| SCHEMBL9300534 | 0.76 | — | — | |
| SCHEMBL9300530 | 0.76 | — | — | |
| SCHEMBL14756851 | 0.75 | — | — | |
| SCHEMBL14744423 | 0.75 | — | — | |
| SCHEMBL8394531 | 0.75 | — | — |
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 |