⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9285282 | 0.73 | — | — | |
| SCHEMBL822065 | 0.72 | — | — | |
| SCHEMBL2852903 | 0.65 | — | — | |
| SCHEMBL12873310 | 0.64 | — | — | |
| Phosphoric Acid Monomethyl Ester SCHEMBL18280349 | 0.64 | — | — | |
| SCHEMBL11136948 | 0.64 | — | — | |
| SCHEMBL29013810 | 0.64 | ALOX15 (0.35) | — | |
| SCHEMBL337713 | 0.62 | — | — | |
| Propene SCHEMBL28420972 | 0.62 | ALDH1A1 (0.32) | — | |
| SCHEMBL31335258 | 0.62 | CYP2C19 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8093287-B2 | Inhibitors of matrix metalloproteinases | UNIVERSITY OF NOTRE DAME DU LAC (US) | 2012-01-10 | — | — | US | disclosed |
| US-20110224275-A1 | INHIBITORS OF MATRIX METALLOPROTEINASES | NOTRE DAME UNIVERSITY (US) | 2011-09-15 | — | — | US | disclosed |
| US-7928127-B2 | Inhibitors of matrix metallaproteinases | NOTRE DAME UNIVERSITY (US) | 2011-04-19 | — | — | US | disclosed |
| US-20090005420-A1 | Inhibitors of Matrix Metallaproteinases | NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT | 2009-01-01 | — | — | US | disclosed |
| WO-2006125208-A1 | INHIBITORS OF MATRIX METALLOPROTEINASES | WAYNE STATE UNIVERSITY (US) | 2006-11-23 | — | — | WO | disclosed |