⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL713571 | 0.81 | — | — | |
| SCHEMBL9224392 | 0.79 | — | — | |
| SCHEMBL12475284 | 0.78 | — | — | |
| SCHEMBL2232360 | 0.78 | — | — | |
| SCHEMBL5502804 | 0.75 | — | — | |
| SCHEMBL8582328 | 0.73 | — | — | |
| SCHEMBL11199752 | 0.72 | — | — | |
| SCHEMBL354646 | 0.72 | — | — | |
| SCHEMBL1176288 | 0.72 | CA12 (0.48) | — | |
| SCHEMBL11312587 | 0.69 | TSHR (0.30) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102216291-B | Carbamate derivatives containing alkyl-heterocycles, preparation and therapeutic use thereof | 赛诺菲-安万特 | 2016-08-03 | — | — | CN | disclosed |
| 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 |