⚠ 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 | |
|---|---|---|---|---|
| Acetic Acid SCHEMBL28338371 | 0.79 | ALDH1A1 (0.48) | — | |
| SCHEMBL13862155 | 0.78 | ALDH1A1 (0.44) | — | |
| SCHEMBL15751044 | 0.78 | — | — | |
| SCHEMBL210277 | 0.78 | — | — | |
| SCHEMBL94679 | 0.78 | ALDH1A1 (0.54) | — | |
| SCHEMBL15277944 | 0.77 | ALDH1A1 (0.46) | — | |
| Methacrylic Acid SCHEMBL28219636 | 0.77 | ALDH1A1 (0.46) | — | |
| SCHEMBL4542821 | 0.77 | ALDH1A1 (0.52) | — | |
| SCHEMBL8439010 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL11378520 | 0.76 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-8133907-B2 | Type II diabetes, obesity, hyperglycemia and a lipid disorder selected from dyslipidemia, hyperlipidemia, hypertriglyceridemia, hypercholesterolemia, low HDL and high LDL; additionally comprising metformin | ELI LILLY AND COMPANY (US) | 2012-03-13 | — | — | US | disclosed |
| EP-1912946-B1 | PYRIDINE DERIVATIVES AS DIPEPTEDYL PEPTIDASE INHIBITORS | LILLY CO ELI (US) | 2009-05-27 | — | — | EP | disclosed |
| WO-2008148449-A1 | 2-OXO-3-BENZYL-BENZOXAZOL-2-ONE DERIVATIVES AND RELATED COMPOUNDS AS MET KINASE INHIBITORS FOR THE TREATMENT OF TUMORS | MERCK PATENT GMBH (DE) | 2008-12-11 | — | — | WO | disclosed |
| US-20080214616-A1 | Pyridine Derivatives as Dipeptedyl Peptidase Inhibitors | ELI LILLY AND COMPANY | 2008-09-04 | — | — | US | disclosed |