⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12290757 | 0.73 | — | — | |
| SCHEMBL1469570 | 0.73 | — | — | |
| SCHEMBL16824007 | 0.69 | — | — | |
| SCHEMBL588711 | 0.66 | — | — | |
| SCHEMBL16144917 | 0.65 | — | — | |
| SCHEMBL503914 | 0.65 | — | — | |
| SCHEMBL2002186 | 0.65 | — | — | |
| SCHEMBL10136440 | 0.65 | — | — | |
| SCHEMBL7872213 | 0.65 | — | — | |
| SCHEMBL14784948 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7169797-B2 | Protein-tyrosine phosphatase inhibitors and uses thereof | ABBOTT LABORATORIES (US) | 2007-01-30 | — | — | US | disclosed |
| US-20040214870-A1 | Controlling gene expression; antidiabetic agents; insulin resistance; autoimmune disease; 5-(3-((1E)-3-(3-hydroxy-2-(methoxycarbonyl)phenoxy)prop-1-enyl)phenyl)isoxazole-3-carboxylic acid | ABBVIE INC. | 2004-10-28 | — | — | US | disclosed |
| US-20040167188-A1 | Controlling gene expression; antidiabetic agents; insulin resistance; autoimmune disease; | ABBOTT LABORATORIES | 2004-08-26 | — | — | US | disclosed |