⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13865824 | 0.69 | MAPT (0.31) | — | |
| SCHEMBL19541640 | 0.60 | CRBN (0.41) | — | |
| SCHEMBL2254579 | 0.58 | NPC1 (0.47) | — | |
| SCHEMBL19222203 | 0.58 | NPC1 (0.38) | — | |
| SCHEMBL20766677 | 0.58 | NPC1 (0.48) | — | |
| SCHEMBL20766676 | 0.58 | NPC1 (0.48) | — | |
| SCHEMBL19222240 | 0.56 | ALOX15 (0.39) | — | |
| SCHEMBL29388571 | 0.56 | NPC1 (0.40) | — | |
| SCHEMBL29471925 | 0.56 | NPC1 (0.40) | — | |
| SCHEMBL2248688 | 0.56 | NPC1 (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 1 patent. 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 |