⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30999999 | 0.63 | — | — | |
| SCHEMBL9270950 | 0.51 | — | — | |
| SCHEMBL6925803 | 0.51 | — | — | |
| SCHEMBL12555060 | 0.49 | — | — | |
| SCHEMBL10526110 | 0.49 | — | — | |
| SCHEMBL9200523 | 0.48 | — | — | |
| SCHEMBL29386447 | 0.45 | — | — | |
| SCHEMBL669835 | 0.42 | TSHR (0.35) | — | |
| Terephthalic Acid SCHEMBL9621388 | 0.41 | TSHR (0.41) | — | |
| Bicarbonate SCHEMBL19574 | 0.37 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2004014354-A1 | 1,6-FUSED URACIL DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS | WARNER-LAMBERT COMPANY LLC (US) | 2004-02-19 | — | — | WO | claimed |
| WO-2004014354-A1 | 1,6-FUSED URACIL DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS | WARNER-LAMBERT COMPANY LLC (US) | 2004-02-19 | — | — | WO | disclosed |