⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20211 | 0.72 | — | — | |
| Ethane SCHEMBL9044715 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL12469062 | 0.69 | — | — | |
| Methane SCHEMBL9047974 | 0.69 | — | — | |
| SCHEMBL9697801 | 0.67 | — | — | |
| SCHEMBL29195607 | 0.67 | — | — | |
| SCHEMBL13400215 | 0.65 | CA2 (0.36) | — | |
| Sulfamide SCHEMBL28889919 | 0.65 | — | — | |
| SCHEMBL10408062 | 0.64 | CA1 (0.39) | — | |
| SCHEMBL245451 | 0.62 | — | — |
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 |