⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL309717 | 0.81 | MAPK1 (0.51) | — | |
| SCHEMBL21940425 | 0.79 | MAPK1 (0.33) | — | |
| SCHEMBL25635659 | 0.75 | POLB (0.33) | — | |
| SCHEMBL25709689 | 0.73 | MAPK1 (0.40) | — | |
| SCHEMBL23174245 | 0.71 | MAPK1 (0.38) | — | |
| SCHEMBL14779490 | 0.68 | POLB (0.31) | — | |
| SCHEMBL12556815 | 0.68 | — | — | |
| SCHEMBL12705404 | 0.68 | — | — | |
| SCHEMBL24716832 | 0.68 | ALDH1A1 (0.32) | — | |
| SCHEMBL4545334 | 0.68 | POLB (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2010026124-A1 | PICOLINAMIDE DERIVATIVES AS KINASE INHIBITORS | NOVARTIS AG (CH) | 2010-03-11 | — | — | WO | disclosed |