⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27876252 | 0.98 | SLC6A2 (0.37) | — | |
| SCHEMBL447293 | 0.93 | — | — | |
| SCHEMBL27466565 | 0.84 | SLC6A2 (0.38) | — | |
| SCHEMBL14032382 | 0.78 | SLC6A2 (0.36) | — | |
| SCHEMBL2090139 | 0.78 | SLC6A2 (0.41) | — | |
| SCHEMBL1515328 | 0.73 | — | — | |
| SCHEMBL27087454 | 0.71 | — | — | |
| SCHEMBL13560137 | 0.71 | — | — | |
| SCHEMBL25842227 | 0.71 | — | — | |
| SCHEMBL20537294 | 0.71 | SLC6A2 (0.36) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2016181312-A1 | POLYCYCLIC EPOXIDES AND COMPOSITIONS THEREOF WITH ANTI-CANCER ACTIVITIES | VERSITECH LIMITED (CN) | 2016-11-17 | — | — | WO | disclosed |
| EP-2091948-A1 | NOVEL INHIBITORS OF GLUTAMINYL CYCLASE | Probiodrug AG (DE) | 2009-08-26 | — | — | EP | disclosed |
| WO-2008065141-A1 | NOVEL INHIBITORS OF GLUTAMINYL CYCLASE | PROBIODRUG AG (DE) | 2008-06-05 | — | — | WO | disclosed |