⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1259769 | 0.72 | — | — | |
| SCHEMBL20145978 | 0.71 | — | — | |
| SCHEMBL1628554 | 0.67 | NNMT (0.31) | — | |
| Carbamic Acid SCHEMBL15321134 | 0.64 | — | — | |
| SCHEMBL15109012 | 0.62 | TSHR (0.36) | — | |
| SCHEMBL8333628 | 0.62 | — | — | |
| SCHEMBL3653697 | 0.61 | GABRR1 (0.35) | — | |
| SCHEMBL23158237 | 0.59 | — | — | |
| SCHEMBL7137241 | 0.59 | — | — | |
| SCHEMBL6053567 | 0.59 | — | — |
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-20090286798-A1 | FUSED PYRAZINE COMPOUNDS USEFUL FOR THE TREATMENT OF DEGENERATIVE AND INFLAMMATORY DISEASES | GALAPAGOS NV (BE) | 2009-11-19 | — | — | US | disclosed |