⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL624913 | 0.72 | — | — | |
| SCHEMBL3937234 | 0.69 | — | — | |
| SCHEMBL4614065 | 0.69 | TSHR (0.41) | — | |
| SCHEMBL1377688 | 0.69 | — | — | |
| SCHEMBL4654377 | 0.67 | TSHR (0.47) | — | |
| SCHEMBL1129568 | 0.67 | — | — | |
| SCHEMBL265610 | 0.67 | — | — | |
| SCHEMBL13935642 | 0.67 | — | — | |
| SCHEMBL877978 | 0.67 | — | — | |
| SCHEMBL12657749 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0722436-A4 | MERCAPTOSULFIDE METALLOPROTEINASE INHIBITORS | UNIV FLORIDA STATE (US) | 1996-11-20 | — | — | EP | disclosed |
| EP-0722436-A1 | MERCAPTOSULFIDE METALLOPROTEINASE INHIBITORS | FLORIDA STATE UNIVERSITY (US) | 1996-07-24 | — | — | EP | disclosed |
| WO-1995009833-A1 | MERCAPTOSULFIDE METALLOPROTEINASE INHIBITORS | FLORIDA STATE UNIVERSITY (US) | 1995-04-13 | — | — | WO | disclosed |