⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7186651 | 0.88 | LMNA (0.31) | — | |
| SCHEMBL7593604 | 0.86 | — | — | |
| SCHEMBL9293355 | 0.71 | CTSA (0.31) | — | |
| SCHEMBL8536110 | 0.70 | CYP2D6 (0.36) | — | |
| SCHEMBL9033458 | 0.67 | MEN1 (0.32) | — | |
| SCHEMBL7192015 | 0.65 | TP53 (0.31) | — | |
| SCHEMBL7904051 | 0.63 | CYP2D6 (0.36) | — | |
| SCHEMBL4589689 | 0.63 | CYP2D6 (0.54) | — | |
| SCHEMBL9037533 | 0.62 | ALOX5AP (0.33) | — | |
| SCHEMBL10518713 | 0.61 | ALOX5AP (0.35) | — |
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 4 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 |
| 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 |