⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6820045 | 0.79 | CYP1A2 (0.46) | — | |
| SCHEMBL6722541 | 0.77 | — | — | |
| SCHEMBL79088 | 0.75 | — | — | |
| SCHEMBL307994 | 0.75 | — | — | |
| SCHEMBL2126594 | 0.75 | — | — | |
| Zinc Ion SCHEMBL28664661 | 0.73 | CYP1A2 (0.42) | — | |
| SCHEMBL5490908 | 0.73 | TSHR (0.46) | — | |
| SCHEMBL5640920 | 0.70 | — | — | |
| SCHEMBL21001195 | 0.70 | — | — | |
| SCHEMBL1193629 | 0.70 | — | — |
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-20040157891-A1 | Inhibitor of cox | FUJISAWA PHARMACEUTICAL CO., LTD. (JP) | 2004-08-12 | — | — | US | disclosed |