⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13865965 | 0.92 | NPC1 (0.32) | — | |
| SCHEMBL13865967 | 0.87 | — | — | |
| SCHEMBL13865964 | 0.81 | NPC1 (0.32) | — | |
| SCHEMBL13865960 | 0.78 | NPC1 (0.34) | — | |
| SCHEMBL13865972 | 0.76 | NPC1 (0.31) | — | |
| SCHEMBL13865983 | 0.76 | — | — | |
| SCHEMBL13865878 | 0.76 | NPC1 (0.38) | — | |
| SCHEMBL13865961 | 0.74 | NPC1 (0.36) | — | |
| SCHEMBL13865958 | 0.74 | NPC1 (0.33) | — | |
| SCHEMBL13865861 | 0.73 | NPC1 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20090137597-A1 | Novel quinoxalinone derivatives | MSD K.K. (JP) | 2009-05-28 | — | — | US | disclosed |
| US-7388010-B2 | Quinoxalinone derivatives | BANYU PHARMACEUTICAL CO., LTD. (JP) | 2008-06-17 | — | — | US | disclosed |