⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7200762 | 0.90 | PTPN1 (0.32) | — | |
| SCHEMBL7182867 | 0.89 | PTPN1 (0.31) | — | |
| SCHEMBL7188616 | 0.81 | MMP1 (0.32) | — | |
| SCHEMBL7191997 | 0.77 | ALDH1A1 (0.33) | — | |
| SCHEMBL7187611 | 0.77 | CD274 (0.39) | — | |
| SCHEMBL7183224 | 0.75 | CYP2D6 (0.36) | — | |
| SCHEMBL7189291 | 0.75 | ALDH1A1 (0.31) | — | |
| SCHEMBL7200757 | 0.74 | PTPN1 (0.53) | — | |
| SCHEMBL7596366 | 0.74 | PTPN1 (0.53) | — | |
| SCHEMBL7190930 | 0.73 | MEN1 (0.37) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1268494-A1 | SULFUR SUBSTITUTED ARYLDIFLUOROMETHYLPHOSPHONIC ACIDS AS PTP-1B INHIBITORS | Merck Frosst Canada & Co. (CA) | 2003-01-02 | — | — | EP | disclosed |
| WO-2001070753-A1 | SULFUR SUBSTITUTED ARYLDIFLUOROMETHYLPHOSPHONIC ACIDS AS PTP-1B INHIBITORS | MERCK FROSST CANADA & CO. (CA) | 2001-09-27 | — | — | WO | disclosed |