⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6766184 | 0.79 | MEN1 (0.31) | — | |
| SCHEMBL18526934 | 0.78 | HPGD (0.48) | — | |
| SCHEMBL9210208 | 0.76 | MEN1 (0.33) | — | |
| SCHEMBL6776837 | 0.76 | TSHR (0.41) | — | |
| SCHEMBL5504259 | 0.75 | PGK1 (0.32) | — | |
| SCHEMBL6951625 | 0.75 | TRPA1 (0.36) | — | |
| SCHEMBL7842062 | 0.75 | ALDH1A1 (0.36) | — | |
| SCHEMBL6999357 | 0.73 | MEN1 (0.41) | — | |
| SCHEMBL9205796 | 0.73 | — | — | |
| SCHEMBL6766317 | 0.73 | KLK8 (0.55) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1786421-A2 | OXYGEN/NITROGEN HETEROCYCLE INHIBITORS OF TYROSINE PHOSPHATASES | Cengent Therapeutics, Inc. (US) | 2007-05-23 | — | — | EP | claimed |
| US-20060135483-A1 | Oxygen/nitrogen heterocycle inhibitors of tyrosine phosphatases | METABASIS THERAPEUTICS, INC. | 2006-06-22 | — | — | US | claimed |
| WO-2006017124-A2 | OXYGEN/NITROGEN HETEROCYCLE INHIBITORS OF TYROSINE PHOSPHATASES | CENGENT THERAPEUTICS, INC. (US) | 2006-02-16 | — | — | WO | claimed |
| US-20070161542-A1 | Ptb1b photoprobes | RAMACHANDRAN CHIDAMBARAM | 2007-07-12 | — | — | US | disclosed |
| EP-1786421-A2 | OXYGEN/NITROGEN HETEROCYCLE INHIBITORS OF TYROSINE PHOSPHATASES | Cengent Therapeutics, Inc. (US) | 2007-05-23 | — | — | EP | disclosed |
| US-20060135483-A1 | Oxygen/nitrogen heterocycle inhibitors of tyrosine phosphatases | METABASIS THERAPEUTICS, INC. | 2006-06-22 | — | — | US | disclosed |
| WO-2006017124-A2 | OXYGEN/NITROGEN HETEROCYCLE INHIBITORS OF TYROSINE PHOSPHATASES | CENGENT THERAPEUTICS, INC. (US) | 2006-02-16 | — | — | WO | disclosed |
| WO-2005056582-A1 | PTP1B PHOTOPROBES | MERCK FROSST CANADA LTD. (CA) | 2005-06-23 | — | — | WO | disclosed |