⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13865832 | 0.72 | KDM4E (0.35) | — | |
| SCHEMBL14193138 | 0.72 | NPC1 (0.36) | — | |
| SCHEMBL13870888 | 0.71 | NPC1 (0.35) | — | |
| SCHEMBL13865961 | 0.63 | NPC1 (0.36) | — | |
| SCHEMBL13865957 | 0.62 | NPC1 (0.35) | — | |
| SCHEMBL92232 | 0.58 | CASP3 (0.60) | — | |
| SCHEMBL9290297 | 0.52 | ALDH1A1 (0.46) | — | |
| SCHEMBL8141981 | 0.52 | PTGER4 (0.64) | — | |
| SCHEMBL11826568 | 0.51 | ALDH1A1 (0.63) | — | |
| SCHEMBL6200530 | 0.49 | NQO2 (0.55) | — |
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 |