⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2041838 | 0.71 | — | — | |
| SCHEMBL19346109 | 0.71 | — | — | |
| SCHEMBL19592698 | 0.71 | — | — | |
| SCHEMBL257416 | 0.71 | — | — | |
| SCHEMBL10296541 | 0.59 | — | — | |
| SCHEMBL15047213 | 0.57 | — | — | |
| SCHEMBL6931121 | 0.56 | — | — | |
| SCHEMBL10062433 | 0.56 | — | — | |
| SCHEMBL16377136 | 0.55 | — | — | |
| SCHEMBL10296556 | 0.54 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023116779-A1 | DIALKYNE COMPOUND AND USE THEREOF | 上海艾力斯医药科技股份有限公司 | 2023-06-29 | — | — | WO | disclosed |
| US-9540370-B2 | Heterocyclic compounds and their use as glycogen synthase kinase-3 inhibitors | ABBVIE DEUTSCHLAND GMBH & CO., KG. (DE) | 2017-01-10 | — | — | US | disclosed |
| US-20150274724-A1 | HETEROCYCLIC COMPOUNDS AND THEIR USE AS GLYCOGEN SYNTHASE KINASE-3 INHIBITORS | AbbVie Deutschland GmbH & Co. KG (DE) | 2015-10-01 | — | — | US | disclosed |
| US-9090592-B2 | Heterocyclic compounds and their use as glycogen synthase kinase-3 inhibitors | AbbVie Deutschland GmbH & Co. KG (DE) | 2015-07-28 | — | — | US | disclosed |
| US-20120172376-A1 | HETEROCYCLIC COMPOUNDS AND THEIR USE AS GLYCOGEN SYNTHASE KINASE-3 INHIBITORS | ABBOTT GMBH & CO. KG (DE) | 2012-07-05 | — | — | US | disclosed |