⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12683542 | 1.00 | — | — | |
| SCHEMBL6853153 | 1.00 | — | — | |
| SCHEMBL15356624 | 0.81 | — | — | |
| SCHEMBL24115245 | 0.79 | — | — | |
| SCHEMBL12900692 | 0.79 | — | — | |
| SCHEMBL16168238 | 0.78 | CASP1 (0.40) | — | |
| SCHEMBL13402574 | 0.77 | ANPEP (0.53) | — | |
| SCHEMBL8360127 | 0.77 | CASP3 (0.43) | — | |
| SCHEMBL17688838 | 0.77 | CASP1 (0.43) | — | |
| SCHEMBL1970043 | 0.77 | ANPEP (0.53) | — |
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-3405477-B1 | INHIBITORS OF TRANSGLUTAMINASES | ZEDIRA GMBH (DE) | 2023-06-07 | — | — | EP | disclosed |
| US-20190322700-A1 | INHIBITORS OF TRANSGLUTAMINASES | ZEDIRA GMBH (DE) | 2019-10-24 | — | — | US | disclosed |
| EP-3342779-A1 | INHIBITORS OF TRANSGLUTAMINASES | Zedira GmbH (DE) | 2018-07-04 | — | — | EP | disclosed |