⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7185385 | 0.83 | S1PR2 (0.31) | — | |
| SCHEMBL7187791 | 0.82 | SMN1; SMN2 (0.39) | — | |
| SCHEMBL7659071 | 0.78 | S1PR2 (0.34) | — | |
| SCHEMBL7193743 | 0.78 | S1PR2 (0.44) | — | |
| SCHEMBL7594619 | 0.78 | PTPN1 (0.35) | — | |
| SCHEMBL7188055 | 0.77 | ALDH1A1 (0.33) | — | |
| SCHEMBL7592362 | 0.77 | PGK1 (0.32) | — | |
| SCHEMBL7199113 | 0.77 | PTPN1 (0.48) | — | |
| SCHEMBL7598945 | 0.76 | ALDH1A1 (0.34) | — | |
| SCHEMBL7193736 | 0.76 | PTPN1 (0.38) | — |
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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6498151-B2 | PROTEIN TYROSINE PHOSPHATASES INHIBITORS, ESPECIALLY AS ANTIDIABETIC AGENTS | MERCK FROSST CANADA & CO. (CA) | 2002-12-24 | — | — | US | claimed |
| EP-1268494-A1 | SULFUR SUBSTITUTED ARYLDIFLUOROMETHYLPHOSPHONIC ACIDS AS PTP-1B INHIBITORS | Merck Frosst Canada & Co. (CA) | 2003-01-02 | — | — | EP | disclosed |
| US-6498151-B2 | PROTEIN TYROSINE PHOSPHATASES INHIBITORS, ESPECIALLY AS ANTIDIABETIC AGENTS | MERCK FROSST CANADA & CO. (CA) | 2002-12-24 | — | — | US | disclosed |
| US-20020091104-A1 | Aryldifluoromethylphosphonic acids with sulfur-containing substituents as PTP-1B inhibitors | MERCK FROSST CANADA LTD. (CA) | 2002-07-11 | — | — | US | disclosed |
| WO-2001070753-A1 | SULFUR SUBSTITUTED ARYLDIFLUOROMETHYLPHOSPHONIC ACIDS AS PTP-1B INHIBITORS | MERCK FROSST CANADA & CO. (CA) | 2001-09-27 | — | — | WO | disclosed |