⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13057793 | 0.62 | — | — | |
| SCHEMBL16789564 | 0.57 | — | — | |
| SCHEMBL9945739 | 0.57 | — | — | |
| SCHEMBL22230024 | 0.57 | — | — | |
| SCHEMBL149795 | 0.55 | — | — | |
| SCHEMBL2936005 | 0.55 | — | — | |
| SCHEMBL6679235 | 0.54 | — | — | |
| SCHEMBL762235 | 0.54 | — | — | |
| SCHEMBL31550440 | 0.51 | GSK3A (0.40) | — | |
| SCHEMBL17388697 | 0.48 | — | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8318945-B2 | Metalloprotein inhibitors | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2012-11-27 | — | — | US | disclosed |
| US-20120041032-A1 | METALLOPROTEIN INHIBITORS | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA, SAN DIEGO (US) | 2012-02-16 | — | — | US | disclosed |
| US-8008510-B2 | Metalloprotein inhibitors | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2011-08-30 | — | — | US | disclosed |
| US-20100173952-A1 | METALLOPROTEIN INHIBITORS | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA OFFICE OF TECHNOLOGY TRANSFER (US) | 2010-07-08 | — | — | US | disclosed |
| US-7705164-B2 | Metalloprotein inhibitors | THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) | 2010-04-27 | — | — | US | disclosed |
| US-20080161362-A1 | Metalloprotein Inhibitors | REGENTS OF THE UNIVERSITY OF CALIFORNIA, SAN DIEGO UCSD TECHNOLOGY TRANSFER OFFICE (US) | 2008-07-03 | — | — | US | disclosed |