⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12045113 | 0.90 | FASN (0.36) | — | |
| SCHEMBL12045127 | 0.89 | — | — | |
| SCHEMBL12045095 | 0.87 | FASN (0.36) | — | |
| SCHEMBL7905093 | 0.87 | TRAP1 (0.40) | — | |
| SCHEMBL7913668 | 0.87 | TNKS (0.37) | — | |
| SCHEMBL12045126 | 0.86 | CFTR (0.48) | — | |
| SCHEMBL12044855 | 0.85 | — | — | |
| SCHEMBL7907690 | 0.85 | PLAT (0.38) | — | |
| SCHEMBL7908292 | 0.85 | TRAP1 (0.38) | — | |
| SCHEMBL7907326 | 0.85 | SPR (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2010101230-A1 | QUINOXALINE COMPOUNDS | アステラス製薬株式会社 (JP) | 2010-09-10 | — | — | WO | disclosed |