⚠ 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 | |
|---|---|---|---|---|
| Ammonia Solution, Strong SCHEMBL4523855 | 1.00 | TPI1 (0.34) | — | |
| Ammonia Solution, Strong SCHEMBL10847788 | 1.00 | TPI1 (0.34) | — | |
| SCHEMBL4670278 | 0.97 | — | — | |
| Potassium Ion SCHEMBL5807703 | 0.95 | TPI1 (0.34) | — | |
| SCHEMBL6794240 | 0.95 | TPI1 (0.34) | — | |
| Phosphoric Acid SCHEMBL7714297 | 0.95 | TPI1 (0.34) | — | |
| Potassium Ion SCHEMBL5803916 | 0.84 | SLC34A1 (0.32) | — | |
| SCHEMBL4892596 | 0.83 | LPAR3 (0.35) | — | |
| Butylamine SCHEMBL9405028 | 0.78 | LPAR3 (0.44) | — | |
| SCHEMBL14118485 | 0.77 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-8900638-B2 | Solid preparation comprising alogliptin and metformin hydrochloride | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2014-12-02 | — | — | US | disclosed |
| US-20100136127-A1 | SOLID PREPARATION COMPRISING ALOGLIPTIN AND METFORMIN HYDROCHLORIDE | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2010-06-03 | — | — | US | disclosed |