⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17459345 | 1.00 | — | — | |
| SCHEMBL23521671 | 0.84 | ADAM17 (0.34) | — | |
| SCHEMBL7269068 | 0.83 | — | — | |
| SCHEMBL568277 | 0.83 | — | — | |
| SCHEMBL7269074 | 0.83 | — | — | |
| SCHEMBL8399663 | 0.81 | — | — | |
| SCHEMBL7275386 | 0.80 | CYP1A2 (0.38) | — | |
| SCHEMBL30173737 | 0.80 | FFAR2 (0.37) | — | |
| SCHEMBL27572826 | 0.79 | — | — | |
| SCHEMBL2355730 | 0.79 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1458719-A1 | PYRIDOQUINOXALINE ANTIVIRALS | PHARMACIA & UPJOHN COMPANY (US) | 2004-09-22 | — | — | EP | disclosed |
| US-20030207877-A1 | Pyridoquinoxaline antivirals | PHARMACIA & UPJOHN COMPANY | 2003-11-06 | — | — | US | disclosed |
| WO-2003053971-A1 | PYRIDOQUINOXALINE ANTIVIRALS | PHARMACIA & UPJOHN COMPANY (US) | 2003-07-03 | — | — | WO | disclosed |