⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7430076 | 0.97 | ADH1A (0.63) | — | |
| SCHEMBL8090539 | 0.84 | ADH1A (0.50) | — | |
| SCHEMBL8087373 | 0.82 | ADH1A (0.50) | — | |
| SCHEMBL8092201 | 0.82 | ADH1A (0.50) | — | |
| SCHEMBL4496323 | 0.76 | ADH1A (1.00) | — | |
| Cyclobutyl(Cyclopentyl)Formamide SCHEMBL4315833 | 0.73 | ADH1A (1.00) | — | |
| SCHEMBL3160136 | 0.73 | ADH1A (1.00) | — | |
| SCHEMBL6006488 | 0.73 | ADH1A (0.94) | — | |
| SCHEMBL14855293 | 0.71 | ADH1A (0.94) | — | |
| SCHEMBL10013014 | 0.71 | ADH1A (0.94) | — |
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-20040162319-A1 | Polycyclic aryl and heteroaryl substituted 4-pyridones useful for selective inhibition of the coagulation cascade | PHARMACIA CORPORATION | 2004-08-19 | — | — | US | claimed |