⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11894877 | 0.79 | TSHR (0.48) | — | |
| SCHEMBL8258829 | 0.78 | — | — | |
| SCHEMBL2930861 | 0.77 | — | — | |
| SCHEMBL27730190 | 0.77 | TSHR (0.46) | — | |
| SCHEMBL20760739 | 0.76 | — | — | |
| SCHEMBL11949568 | 0.71 | MGAM (0.48) | — | |
| SCHEMBL10250397 | 0.70 | — | — | |
| SCHEMBL4983409 | 0.67 | — | — | |
| SCHEMBL10659847 | 0.67 | MGAM (0.42) | — | |
| SCHEMBL8257596 | 0.65 | TSHR (0.50) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3150600-B1 | DIHYDROPYRIMIDO LOOP DERIVATIVE AS HBV INHIBITOR | QILU PHARMACEUTICAL CO LTD (CN) | 2018-06-27 | — | — | EP | disclosed |
| US-20040063673-A1 | Cyclic compounds containing zinc binding groups as matrix metalloproteinase inhibitors | JOHNSON ADAM RICHARD (US) | 2004-04-01 | — | — | US | disclosed |
| US-20040043985-A1 | 6,6-Fused heteroaryl derivatives as matrix metalloproteinase inhibitors | HICKS JAMES LESTER (US) | 2004-03-04 | — | — | US | disclosed |
| WO-2004014388-A1 | 6,6-FUSED HETEROARYL DERIVATIVES AS MATRIX METALLOPROTEINASE INHIBITORS | WARNER-LAMBERT COMPANY LLC (US) | 2004-02-19 | — | — | WO | disclosed |
| WO-2004014384-A2 | CYCLIC COMPOUNDS CONTAINING ZINC BINDING GROUPS AS MATRIX METALLOPROTEINASE INHIBITORS | WARNER-LAMBERT COMPANY LLC (US) | 2004-02-19 | — | — | WO | disclosed |