⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8147648 | 0.87 | CSNK2A1 (0.33) | — | |
| SCHEMBL8155455 | 0.87 | CSNK2A1 (0.33) | — | |
| SCHEMBL8147664 | 0.87 | — | — | |
| SCHEMBL8150363 | 0.87 | — | — | |
| SCHEMBL8154003 | 0.80 | CYP2A6 (0.42) | — | |
| SCHEMBL8150150 | 0.80 | CYP2A6 (0.42) | — | |
| SCHEMBL8149492 | 0.78 | — | — | |
| SCHEMBL8149480 | 0.78 | — | — | |
| SCHEMBL8140915 | 0.76 | CYP2A6 (0.39) | — | |
| SCHEMBL811040 | 0.75 | CD44 (0.39) | — |
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-20040116399-A1 | Inhibitors of factor Xa | MILLENNIUM PHARMACEUTICALS, INC. | 2004-06-17 | — | — | US | disclosed |