⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL844313 | 0.86 | — | — | |
| SCHEMBL8609239 | 0.81 | — | — | |
| SCHEMBL4957731 | 0.75 | TSHR (0.30) | — | |
| Ethylene Glycol SCHEMBL3135916 | 0.73 | TSHR (0.31) | — | |
| SCHEMBL16999370 | 0.69 | — | — | |
| SCHEMBL7570399 | 0.67 | — | — | |
| SCHEMBL8147946 | 0.65 | ALDH1A1 (0.36) | — | |
| SCHEMBL2278890 | 0.65 | — | — | |
| SCHEMBL5317 | 0.63 | — | — | |
| SCHEMBL845310 | 0.63 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20180226592-A1 | Metal Compounds, Methods, and Uses Thereof | ARIZONA BOARD OF REGENTS FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY | 2018-08-09 | — | — | US | disclosed |
| US-9882150-B2 | Metal compounds, methods, and uses thereof | ARIZONA BOARD OF REGENTS FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY (US) | 2018-01-30 | — | — | US | disclosed |
| US-20150228914-A1 | METAL COMPOUNDS, METHODS, AND USES THEREOF | ARIZONA BOARD OF REGENTS FOR AND ON BEHALF OF ARIZONA STATE UNIVERSITY | 2015-08-13 | — | — | US | disclosed |
| US-7459428-B2 | Treating Type II diabetes comprising coadministering metformin and an inhibitor of dipeptidylpeptidase IV, especially a peptidomimetic containing a pyrrolidine ring in an amount insufficient to suppress the immune system | TRUSTEES OF TUFTS COLLEGE (US) | 2008-12-02 | — | — | US | disclosed |
| US-20070129314-A1 | Treating Type II diabetes comprising coadministering metformin and an inhibitor of dipeptidylpeptidase IV, especially a peptidomimetic containing a pyrrolidine ring in an amount insufficient to suppress the immune system | TRUSTEES OF TUFTS COLLEGE (US) | 2007-06-07 | — | — | US | disclosed |
| US-5250720-A | Intermediates for preparing peptide boronic acid inhibitors of trypsin-like proteases | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1993-10-05 | — | — | US | disclosed |
| US-5242904-A | Anticoagulant, antiinflammatory | THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) | 1993-09-07 | — | — | US | disclosed |
| EP-0293881-B1 | PEPTIDE BORONIC ACID INHIBITORS OF TRYPSIN-LIKE PROTEASES | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1993-03-10 | — | — | EP | disclosed |
| US-5187157-A | Anticoagulant, antiinflammatory agents | DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1993-02-16 | — | — | US | disclosed |
| EP-0293881-A2 | Peptide boronic acid inhibitors of trypsin-like proteases | THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) | 1988-12-07 | — | — | EP | disclosed |