⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL779916 | 0.64 | — | — | |
| SCHEMBL5846773 | 0.64 | — | — | |
| SCHEMBL31099146 | 0.61 | — | — | |
| SCHEMBL7841678 | 0.60 | — | — | |
| SCHEMBL28032452 | 0.60 | — | — | |
| SCHEMBL9065603 | 0.60 | — | — | |
| SCHEMBL28840011 | 0.57 | — | — | |
| SCHEMBL29137437 | 0.55 | — | — | |
| SCHEMBL1989509 | 0.55 | — | — | |
| SCHEMBL9723191 | 0.55 | — | — |
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-20050043313-A1 | Substituted polycyclic aryl and heteroaryl pyrazinones useful for selective inhibition of the coagulation cascade | PHARMACIA CORPORATION | 2005-02-24 | — | — | US | disclosed |