⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17185880 | 0.79 | — | — | |
| SCHEMBL6991646 | 0.64 | — | — | |
| SCHEMBL3655757 | 0.61 | — | — | |
| SCHEMBL24471174 | 0.57 | KDM4E (0.36) | — | |
| SCHEMBL347083 | 0.57 | KDM4E (0.36) | — | |
| SCHEMBL29580518 | 0.57 | KDM4E (0.36) | — | |
| SCHEMBL2796319 | 0.56 | ARNT (0.39) | — | |
| SCHEMBL16781749 | 0.56 | USP2 (0.48) | — | |
| SCHEMBL1710773 | 0.54 | SCN9A (0.39) | — | |
| SCHEMBL27669080 | 0.53 | — | — |
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-1915373-A1 | HETEROBICYCLIC COMPOUNDS USEFUL AS P38 KINASE INHIBITING AGENTS | Merck and Co., Inc. (US) | 2008-04-30 | — | — | EP | disclosed |
| WO-2007021710-A1 | HETEROBICYCLIC COMPOUNDS USEFUL AS P38 KINASE INHIBITING AGENTS | MERCK & CO., INC. (US) | 2007-02-22 | — | — | WO | disclosed |