⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17530976 | 0.76 | — | — | |
| SCHEMBL257018 | 0.71 | — | — | |
| SCHEMBL10027875 | 0.67 | — | — | |
| SCHEMBL182213 | 0.67 | — | — | |
| SCHEMBL2923416 | 0.67 | — | — | |
| SCHEMBL11881679 | 0.67 | — | — | |
| SCHEMBL9179229 | 0.64 | — | — | |
| SCHEMBL12701552 | 0.62 | NOS3 (0.30) | — | |
| SCHEMBL18989126 | 0.62 | — | — | |
| SCHEMBL22580210 | 0.62 | — | — |
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 9 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |
| US-20120077974-A1 | REDOX DRUG DERIVATIVES | REDX PHARMA PLC (GB) | 2012-03-29 | — | — | US | disclosed |
| US-8063036-B2 | Benzamides and related inhibitors of factor Xa | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2011-11-22 | — | — | US | disclosed |
| US-8063036-B2 | Benzamides and related inhibitors of factor Xa | MILLENNIUM PHARMACEUTICALS, INC. (US) | 2011-11-22 | — | — | US | disclosed |
| US-20100298284-A1 | BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA | MILLENNIUM PHARMACEUTICALS, INC. | 2010-11-25 | — | — | US | disclosed |
| US-20100298284-A1 | BENZAMIDES AND RELATED INHIBITORS OF FACTOR XA | MILLENNIUM PHARMACEUTICALS, INC. | 2010-11-25 | — | — | US | disclosed |