⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20860643 | 0.64 | NOTUM (0.33) | — | |
| SCHEMBL15145221 | 0.64 | CHRM1 (0.32) | — | |
| SCHEMBL18415680 | 0.58 | RXRA (0.33) | — | |
| SCHEMBL22809642 | 0.56 | MAPT (0.33) | — | |
| SCHEMBL31471592 | 0.54 | — | — | |
| SCHEMBL21350215 | 0.54 | — | — | |
| SCHEMBL6475113 | 0.54 | CA1 (0.33) | — | |
| SCHEMBL2522318 | 0.54 | GRN (0.37) | — | |
| Hydrochloric Acid SCHEMBL6133279 | 0.53 | — | — | |
| SCHEMBL4679096 | 0.52 | THRB (0.61) | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |