⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16076224 | 0.65 | — | — | |
| SCHEMBL24045038 | 0.57 | — | — | |
| SCHEMBL984049 | 0.50 | — | — | |
| SCHEMBL23111100 | 0.48 | — | — | |
| SCHEMBL16507793 | 0.45 | — | — | |
| SCHEMBL11536468 | 0.45 | — | — | |
| SCHEMBL11536464 | 0.45 | — | — | |
| SCHEMBL13270768 | 0.45 | — | — | |
| SCHEMBL13271015 | 0.45 | — | — | |
| SCHEMBL19019189 | 0.44 | — | — |
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-3003038-B1 | 2H-1,2,3-TRIAZOLE DERIVATIVES AS INHIBITORS OF FIBROSIS | SCRIPPS RESEARCH INST (US) | 2019-08-14 | — | — | EP | 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 |
| WO-2015180679-A1 | NEUROACTIVE STEROIDS, COMPOSITIONS, AND USES THEREOF | SAGE THERAPEUTICS, INC. (US) | 2015-12-03 | — | — | WO | 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 |