⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29180234 | 0.78 | MAPK1 (0.33) | — | |
| SCHEMBL12604440 | 0.77 | — | — | |
| SCHEMBL19426391 | 0.76 | — | — | |
| SCHEMBL13681899 | 0.70 | OPRM1 (0.39) | — | |
| SCHEMBL2089551 | 0.70 | OPRM1 (0.39) | — | |
| SCHEMBL13465078 | 0.69 | — | — | |
| SCHEMBL10076030 | 0.69 | — | — | |
| SCHEMBL24115390 | 0.68 | ADRA1A (0.34) | — | |
| SCHEMBL4988213 | 0.67 | — | — | |
| SCHEMBL10580749 | 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 6 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 |
| EP-3925667-A1 | SELECTIVE TMPRSS2 INHIBITORS AND MEDICAL USE THEREOF | Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) | 2021-12-22 | — | — | EP | disclosed |
| WO-2019201432-A1 | INHIBITORS OF BLOOD COAGULATION FACTOR XIII | ZEDIRA GMBH (DE) | 2019-10-24 | — | — | WO | disclosed |
| WO-2019202052-A1 | INHIBITORS OF BLOOD COAGULATION FACTOR XIII | ZEDIRA GMBH (DE) | 2019-10-24 | — | — | WO | disclosed |
| WO-2018122419-A1 | INHIBITORS OF TRANSGLUTAMINASES | ZEDIRA GMBH (DE) | 2018-07-05 | — | — | WO | disclosed |
| EP-3342779-A1 | INHIBITORS OF TRANSGLUTAMINASES | Zedira GmbH (DE) | 2018-07-04 | — | — | EP | disclosed |