⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2658166 | 0.78 | ALDH1A1 (0.38) | — | |
| SCHEMBL5572948 | 0.72 | MAOB (0.50) | — | |
| SCHEMBL334039 | 0.71 | — | — | |
| SCHEMBL207317 | 0.71 | — | — | |
| SCHEMBL123464 | 0.71 | — | — | |
| SCHEMBL2939273 | 0.71 | — | — | |
| SCHEMBL224946 | 0.71 | — | — | |
| SCHEMBL2775035 | 0.71 | — | — | |
| SCHEMBL2659453 | 0.67 | RELA (0.35) | — | |
| Benzaldehyde SCHEMBL4366084 | 0.67 | ALDH1A1 (0.74) | — |
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-2148862-A1 | DIHYDROQUINONE AND DIHYDRONAPHTHRIDINE INHIBITORS OF JNK | F. Hoffmann-Roche AG (CH) | 2010-02-03 | — | — | EP | disclosed |
| WO-2008138920-A1 | DIHYDROQUINONE AND DIHYDRONAPHTHRIDINE INHIBITORS OF JNK | F. HOFFMANN-LA ROCHE AG (CH) | 2008-11-20 | — | — | WO | disclosed |
| WO-2008104472-A1 | 2, 4 -DIAMINOPYRIMIDINE DERIVATIVES AND THEIR USE AS P2X ANTAGONISTS OR AS PRODRUGS THEREOF | F. HOFFMANN-LA ROCHE AG (CH) | 2008-09-04 | — | — | WO | disclosed |