⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1903243 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL17080155 | 0.75 | — | — | |
| SCHEMBL18225231 | 0.73 | — | — | |
| SCHEMBL2220312 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL10702462 | 0.71 | — | — | |
| SCHEMBL8980786 | 0.71 | — | — | |
| SCHEMBL8199403 | 0.71 | PPARG (0.47) | — | |
| SCHEMBL14099264 | 0.70 | SCN1A (0.42) | — | |
| SCHEMBL173416 | 0.70 | — | — | |
| SCHEMBL13145799 | 0.70 | HTR7 (0.36) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1987003-A1 | PYRIDINE-2-CARBOXAMIDE DERIVATIVES | F.HOFFMANN-LA ROCHE AG (CH) | 2008-11-05 | — | — | EP | disclosed |
| WO-2007093542-A1 | PYRIDINE-2-CARBOXAMIDE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2007-08-23 | — | — | WO | disclosed |