⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL527262 | 0.82 | — | — | |
| SCHEMBL4368148 | 0.77 | — | — | |
| SCHEMBL4908024 | 0.77 | — | — | |
| SCHEMBL269984 | 0.75 | — | — | |
| SCHEMBL3041427 | 0.75 | — | — | |
| SCHEMBL28309636 | 0.75 | — | — | |
| SCHEMBL343256 | 0.73 | — | — | |
| SCHEMBL3136794 | 0.73 | — | — | |
| SCHEMBL17581070 | 0.73 | — | — | |
| SCHEMBL12202970 | 0.73 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |