⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7133442 | 1.00 | — | — | |
| SCHEMBL4959112 | 1.00 | — | — | |
| SCHEMBL27895274 | 0.76 | — | — | |
| SCHEMBL27452938 | 0.75 | — | — | |
| SCHEMBL19068107 | 0.75 | — | — | |
| SCHEMBL16921038 | 0.75 | — | — | |
| SCHEMBL19245100 | 0.75 | — | — | |
| SCHEMBL28452274 | 0.75 | — | — | |
| SCHEMBL519001 | 0.74 | — | — | |
| SCHEMBL1676805 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1924275-B1 | THIO-CONTAINING INHIBITORS OF AMINOPEPTIDASE P, COMPOSITIONS THEREOF AND METHOD OF USE | SIMMONS WILLIAM H (US) | 2012-08-08 | — | — | EP | claimed |
| US-20070060525-A1 | Thio-containing inhibitors of aminopeptidase P, compositions thereof and method of use | SIMMONS WILLIAM H | 2007-03-15 | — | — | US | claimed |
| EP-1924275-B1 | THIO-CONTAINING INHIBITORS OF AMINOPEPTIDASE P, COMPOSITIONS THEREOF AND METHOD OF USE | SIMMONS WILLIAM H (US) | 2012-08-08 | — | — | EP | disclosed |
| US-7390789-B2 | Thio-containing inhibitors of aminopeptidase P, and compositions thereof | SIMMONS WILLIAM H | 2008-06-24 | — | — | US | disclosed |
| US-20070060525-A1 | Thio-containing inhibitors of aminopeptidase P, compositions thereof and method of use | SIMMONS WILLIAM H | 2007-03-15 | — | — | US | disclosed |