⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10404796 | 0.81 | DPP4 (0.31) | — | |
| SCHEMBL6956747 | 0.79 | TRPA1 (0.41) | — | |
| SCHEMBL6919819 | 0.77 | DPP4 (0.47) | — | |
| SCHEMBL5950530 | 0.76 | — | — | |
| SCHEMBL13932720 | 0.76 | KCNN4 (0.38) | — | |
| SCHEMBL7914588 | 0.76 | — | — | |
| Hydrochloric Acid SCHEMBL5855503 | 0.76 | DPP4 (0.46) | — | |
| SCHEMBL8090072 | 0.76 | ALDH1A1 (0.33) | — | |
| SCHEMBL6742593 | 0.76 | PARP1 (0.40) | — | |
| SCHEMBL12615990 | 0.74 | ALDH1A1 (0.38) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20070037807-A1 | Pyridine compounds as inhibitors of dipeptidyl peptidase IV | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2007-02-15 | — | — | US | disclosed |
| EP-1678138-A1 | PYRIDINE COMPOUNDS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE IV | Takeda Pharmaceutical Company Limited (JP) | 2006-07-12 | — | — | EP | disclosed |
| WO-2005042488-A1 | PYRIDINE COMPOUNDS AS INHIBITORS OF DIPEPTIDYL PEPTIDASE IV | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2005-05-12 | — | — | WO | disclosed |