⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL193475 | 0.47 | — | — | |
| SCHEMBL120273 | 0.41 | — | — | |
| SCHEMBL5944727 | 0.37 | — | — | |
| SCHEMBL14739188 | 0.35 | — | — | |
| SCHEMBL107641 | 0.33 | PTK2 (1.00) | — | |
| SCHEMBL108867 | 0.33 | — | — | |
| SCHEMBL320609 | 0.33 | MEN1 (1.00) | — | |
| SCHEMBL63148 | 0.33 | — | — | |
| SCHEMBL1246293 | 0.32 | MEN1 (0.30) | — | |
| Fluoride SCHEMBL20497199 | 0.31 | MEN1 (0.89) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2020242933-A1 | ASPARAGINE ENDOPEPTIDASE (AEP) INHIBITORS, COMPOSITIONS, AND USES RELATED THERETO | EMORY UNIVERSITY (US) | 2020-12-03 | — | — | WO | disclosed |
| CN-108864203-A | Nitrogenous heterocyclic ruthenium complex and its preparation method and application | 广西师范学院 | 2018-11-23 | — | — | CN | disclosed |
| EP-3383873-A1 | 1,3,4-THIADIAZOLE COMPOUNDS AND THEIR USE IN TREATING CANCER | Astrazeneca AB (SE) | 2018-10-10 | — | — | EP | disclosed |
| WO-2017093299-A1 | 1,3,4-THIADIAZOLE COMPOUNDS AND THEIR USE IN TREATING CANCER | ASTRAZENECA AB (SE) | 2017-06-08 | — | — | WO | disclosed |
| CN-106795150-A | 1,3,4 thiadiazole compounds and its purposes in treating cancer | 阿斯利康(瑞典)有限公司 | 2017-05-31 | — | — | CN | disclosed |
| WO-2016054388-A1 | GLUTAMINASE INHIBITORS | UNIVERSITY OF PITTSBURGH - OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) | 2016-04-07 | — | — | WO | disclosed |