⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15155115 | 0.81 | HTR2A (0.32) | — | |
| SCHEMBL17442815 | 0.77 | KDM4E (0.34) | — | |
| SCHEMBL698954 | 0.76 | KDM4E (0.34) | — | |
| SCHEMBL17429459 | 0.74 | HTR2A (0.52) | — | |
| SCHEMBL13552249 | 0.74 | HTR2A (0.33) | — | |
| SCHEMBL3709944 | 0.73 | HTR2A (0.50) | — | |
| SCHEMBL14723170 | 0.70 | KDM4E (0.32) | — | |
| SCHEMBL19617761 | 0.69 | — | — | |
| SCHEMBL13881661 | 0.68 | HTR2A (0.49) | — | |
| SCHEMBL18187103 | 0.67 | BDKRB1 (0.33) | — |
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-2010093191-A2 | NOVEL COMPOUNDS EFFECTIVE AS XANTHINE OXIDASE INHIBITORS, METHOD FOR PREPARING THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME | LG LIFE SCIENCES LTD. (KR) | 2010-08-19 | — | — | WO | disclosed |