⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17075135 | 0.67 | — | — | |
| SCHEMBL20267645 | 0.56 | — | — | |
| SCHEMBL10829156 | 0.56 | — | — | |
| SCHEMBL358638 | 0.55 | — | — | |
| SCHEMBL6358911 | 0.55 | — | — | |
| SCHEMBL11136711 | 0.53 | — | — | |
| SCHEMBL29194915 | 0.53 | — | — | |
| SCHEMBL10829116 | 0.48 | — | — | |
| SCHEMBL10829167 | 0.47 | — | — | |
| SCHEMBL10948770 | 0.45 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20080161365-A1 | e.g. 4-{3-fluoro-3-[2-methyl-6-(3-trifluoromethyl-benzylcarbamoyl)-pyridin-4-yl]-propyl}-benzoic acid; collagenases inhibitor; osteoarthritis or rheumatoid arthritis, heart failure, breast cancer metastasis, and other diseases that are mediated by MMP-13 overactivity | PFIZER INC. (US) | 2008-07-03 | — | — | US | disclosed |
| EP-1828133-A2 | METHYLENE INHIBITORS OF MATRIX METALLOPROTEINASE | Warner-Lambert Company LLC (US) | 2007-09-05 | — | — | EP | disclosed |
| WO-2006061715-A2 | METHYLENE INHIBITORS OF MATRIX METALLOPROTEINASE | WARNER-LAMBERT COMPANY LLC (US) | 2006-06-15 | — | — | WO | disclosed |