⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4762099 | 0.88 | MAPK14 (0.39) | — | |
| SCHEMBL13646271 | 0.84 | MAPK14 (0.42) | — | |
| SCHEMBL3876655 | 0.84 | MAPK14 (0.42) | — | |
| SCHEMBL3864575 | 0.77 | MAPK14 (0.44) | — | |
| SCHEMBL13646299 | 0.77 | MAPK14 (0.44) | — | |
| SCHEMBL13646272 | 0.73 | SCN9A (0.34) | — | |
| SCHEMBL3864520 | 0.73 | SCN9A (0.34) | — | |
| SCHEMBL3870162 | 0.70 | MAPK14 (0.46) | — | |
| SCHEMBL4842334 | 0.69 | MAPK14 (0.38) | — | |
| SCHEMBL4016129 | 0.65 | MAPK14 (0.38) | — |
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-1919913-A2 | P38 MAP KINASE INHIBITORS AND METHODS FOR USING THE SAME | F.HOFFMANN-LA ROCHE AG (CH) | 2008-05-14 | — | — | EP | disclosed |
| WO-2007023110-A2 | P38 MAP KINASE INHIBITORS AND METHODS FOR USING THE SAME | F. HOFFMANN-LA ROCHE AG (CH) | 2007-03-01 | — | — | WO | disclosed |