⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2861497 | 1.00 | — | — | |
| SCHEMBL3069363 | 0.78 | EPHX1 (0.46) | — | |
| SCHEMBL875791 | 0.78 | EPHX1 (0.43) | — | |
| SCHEMBL28355717 | 0.77 | — | — | |
| SCHEMBL11501733 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL3813220 | 0.75 | EPHX1 (0.45) | — | |
| SCHEMBL7769890 | 0.73 | — | — | |
| SCHEMBL21929526 | 0.73 | — | — | |
| SCHEMBL21929713 | 0.73 | — | — | |
| SCHEMBL8417913 | 0.73 | EPHX1 (0.40) | — |
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 3 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 |
| US-20070054915-A1 | p38 MAP kinase inhibitors and methods for using the same | ROCHE PALO ALTO LLC | 2007-03-08 | — | — | US | 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 |