⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1562985 | 0.77 | — | — | |
| SCHEMBL23890643 | 0.77 | — | — | |
| SCHEMBL1013529 | 0.74 | — | — | |
| SCHEMBL2619986 | 0.74 | — | — | |
| SCHEMBL13621139 | 0.72 | — | — | |
| SCHEMBL7670411 | 0.72 | — | — | |
| SCHEMBL14753543 | 0.70 | — | — | |
| SCHEMBL7679680 | 0.70 | — | — | |
| SCHEMBL1016441 | 0.70 | — | — | |
| SCHEMBL9436955 | 0.69 | — | — |
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-8183383-B2 | Protein tyrosine phosphatase 1B inhibitor, preparation methods and uses thereof | SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (CN) | 2012-05-22 | — | — | US | disclosed |
| US-20100197927-A1 | Protein Tyrosine Phosphatase 1B Inhibitor, Preparation Methods and Uses Thereof | SHANGHAI INSTITUTE OF MATERIA MEDICA, CHINESE ACADEMY OF SCIENCES (JP) | 2010-08-05 | — | — | US | disclosed |
| EP-2133342-A1 | PROTEIN TYROSINE PHOSPHATASE 1B INHIBITOR, PREPARATION METHODS AND USES THEREOF | Shanghai Institute Of Materia Medica Chinese Academy of Sciences (CN) | 2009-12-16 | — | — | EP | disclosed |