⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11024846 | 0.73 | — | — | |
| SCHEMBL7888365 | 0.72 | — | — | |
| SCHEMBL1184526 | 0.71 | — | — | |
| SCHEMBL10956840 | 0.71 | — | — | |
| SCHEMBL152172 | 0.71 | — | — | |
| SCHEMBL18283317 | 0.69 | — | — | |
| SCHEMBL7186204 | 0.65 | PTPN1 (0.39) | — | |
| SCHEMBL1457472 | 0.62 | — | — | |
| SCHEMBL27496746 | 0.61 | — | — | |
| SCHEMBL27883931 | 0.60 | — | — |
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-20050065118-A1 | Organosulfur inhibitors of tyrosine phosphatases | METABASIS THERAPEUTICS, INC. | 2005-03-24 | — | — | US | disclosed |
| EP-1446110-A2 | ORGANOSULFUR INHIBITORS OF TYROSINE PHOSPHATASES | Structural Bioinformatics Inc. (US) | 2004-08-18 | — | — | EP | disclosed |
| WO-2003032916-A2 | ORGANOSULFUR INHIBITORS OF TYROSINE PHOSPHATASES | STRUCTURAL BIOINFORMATICS INC. (US) | 2003-04-24 | — | — | WO | disclosed |