⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7160014 | 0.86 | GGPS1 (0.31) | — | |
| SCHEMBL7168011 | 0.85 | — | — | |
| SCHEMBL7167994 | 0.72 | GAA (0.38) | — | |
| SCHEMBL6941159 | 0.72 | PGK1 (0.40) | — | |
| SCHEMBL6944254 | 0.66 | — | — | |
| SCHEMBL30676913 | 0.65 | CA2 (0.43) | — | |
| SCHEMBL7621253 | 0.62 | — | — | |
| SCHEMBL5398102 | 0.61 | PGK1 (0.44) | — | |
| SCHEMBL6950662 | 0.59 | — | — | |
| SCHEMBL9445937 | 0.58 | FDPS (0.36) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6777433-B2 | BIS((DIFLUORO-PHOSPHONATO-METHYL)PHENYL) DERIVATIVES; ANTIDIABETIC AND ANTIOBESITY AGENTS | MERCK FROSST CANADA & CO. (CA) | 2004-08-17 | — | — | US | disclosed |
| US-6583126-B2 | Treating diabetes, obesity, and diabetes-related diseases. | MERCK EROSST CANADA & CO. | 2003-06-24 | — | — | US | disclosed |
| US-20030114703-A1 | Protein tyrosine phosphatase 1B (PTP-1B) inhibitors containing two ortho-substituted aromatic phosphonates | MERCK FROSST CANADA LTD. (CA) | 2003-06-19 | — | — | US | disclosed |
| US-6486142-B2 | A,A-DIFLUOROBENZYLPHOSPHONIC ACID DERIVATIVES | MERCK FROSST CANADA & CO. (CA) | 2002-11-26 | — | — | US | disclosed |
| US-6448429-B1 | TREATING OR PREVENTING PTP-1B MEDIATED DISEASES, INCLUDING DIABETES, OBESITY, AND DIABETES-RELATED CONDITIONS. | MERCK FROSST CANADA & CO. (CA) | 2002-09-10 | — | — | US | disclosed |
| US-20020058644-A1 | Phosphonic acid derivatives as inhibitors of protein tyrosine phosphatase 1B (PTP-1B) | MERCK FROSST CANADA LTD. (CA) | 2002-05-16 | — | — | US | disclosed |
| US-20020052347-A1 | Protein tyrosine phosphatase 1B (PTP-1B) inhibitors containing two ortho-substituted aromatic phosphonates | MERCK FROSST CANADA LTD. (CA) | 2002-05-02 | — | — | US | disclosed |
| US-20020052344-A1 | Phosphonic acid derivatives as inhibitors of protein tyrosine phosphatase IB (PTP-IB) | MERCK FROSST CANADA LTD. (CA) | 2002-05-02 | — | — | US | disclosed |