⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13618510 | 0.70 | — | — | |
| SCHEMBL2632819 | 0.69 | — | — | |
| SCHEMBL21888973 | 0.69 | — | — | |
| SCHEMBL13049139 | 0.62 | — | — | |
| SCHEMBL14029059 | 0.60 | NISCH (0.41) | — | |
| SCHEMBL3432178 | 0.60 | — | — | |
| SCHEMBL21135541 | 0.59 | — | — | |
| SCHEMBL21322312 | 0.59 | — | — | |
| SCHEMBL7758130 | 0.59 | NISCH (0.39) | — | |
| SCHEMBL8367405 | 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 |
|---|---|---|---|---|---|---|---|
| EP-1701944-B1 | 2-(AMINO-SUBSTITUTED)-4-ARYL PYRAMIDINES AND RELATED COMPOUNDS USEFUL FOR TREATING INFLAMMATORY DISEASES | MILLENNIUM PHARM INC (US) | 2009-07-29 | — | — | EP | disclosed |