⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28607868 | 0.81 | — | — | |
| SCHEMBL18569421 | 0.76 | — | — | |
| SCHEMBL25918874 | 0.75 | — | — | |
| SCHEMBL487520 | 0.74 | — | — | |
| SCHEMBL28104381 | 0.74 | ALDH1A1 (0.33) | — | |
| SCHEMBL28199948 | 0.73 | TSHR (0.33) | — | |
| SCHEMBL8609156 | 0.70 | — | — | |
| SCHEMBL9578444 | 0.70 | — | — | |
| SCHEMBL8609154 | 0.70 | — | — | |
| SCHEMBL6563425 | 0.70 | F7 (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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1115729-B1 | PHOSPHONIC ACID DERIVATIVES AS INHIBITORS OF PTP-1B | MERCK FROSST CANADA INC (CA) | 2003-02-19 | — | — | EP | disclosed |
| US-6486142-B2 | A,A-DIFLUOROBENZYLPHOSPHONIC ACID DERIVATIVES | MERCK FROSST CANADA & CO. (CA) | 2002-11-26 | — | — | US | disclosed |
| EP-1244677-A1 | PHOSPHONIC ACID BIARYL DERIVATIVES AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE 1B (PTP-1B) | MERCK FROSST CANADA INC. (CA) | 2002-10-02 | — | — | EP | disclosed |
| EP-1244678-A1 | PHOSPHONIC ACID DERIVATIVES AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE 1B (PTP-1B) | MERCK FROSST CANADA INC. (CA) | 2002-10-02 | — | — | EP | disclosed |
| EP-1242431-A1 | AROMATIC PHOSPHONATES AS PROTEIN TYROSINE PHOSPHATASE 1B (PTP-1B) INHIBITORS | Merck Frosst Canada & Co. (CA) | 2002-09-25 | — | — | EP | disclosed |
| EP-1242432-A1 | PHOSPHONIC ACID DERIVATIVES AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE 1B (PTP-1B) | MERCK FROSST CANADA INC. (CA) | 2002-09-25 | — | — | EP | 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 |
| EP-1115729-A1 | PHOSPHONIC ACID DERIVATIVES AS INHIBITORS OF PTP-1B | Merck Frosst Canada & Co. (CA) | 2001-07-18 | — | — | EP | disclosed |
| WO-2001046204-A1 | AROMATIC PHOSPHONATES AS PROTEIN TYROSINE PHOSPHATASE 1B (PTP-1B) INHIBITORS | MERCK FROSST CANADA & CO. (CA) | 2001-06-28 | — | — | WO | disclosed |
| WO-2001046206-A1 | PHOSPHONIC ACID DERIVATIVES AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE 1B (PTP-1B) | MERCK FROSST CANADA & CO. (CA) | 2001-06-28 | — | — | WO | disclosed |
| WO-2001046205-A1 | PHOSPHONIC ACID DERIVATIVES AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE 1B (PTP-1B) | MERCK FROSST CANADA & CO. (CA) | 2001-06-28 | — | — | WO | disclosed |
| WO-2001046203-A1 | PHOSPHONIC ACID BIARYL DERIVATIVES AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASE 1B (PTP-1B) | MERCK FROSST CANADA & CO. (CA) | 2001-06-28 | — | — | WO | disclosed |
| WO-2000017211-A1 | PHOSPHONIC ACIDS DERIVATIVES AS INHIBITORS OF PTP-1B | MERCK FROSST CANADA & CO. (CA) | 2000-03-30 | — | — | WO | disclosed |