⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9241547 | 0.61 | — | — | |
| SCHEMBL8829825 | 0.61 | — | — | |
| SCHEMBL5434221 | 0.59 | — | — | |
| SCHEMBL11755943 | 0.59 | — | — | |
| SCHEMBL1438699 | 0.56 | — | — | |
| SCHEMBL31612444 | 0.53 | — | — | |
| SCHEMBL11243073 | 0.52 | — | — | |
| SCHEMBL6927021 | 0.52 | — | — | |
| Hydrochloric Acid SCHEMBL18423336 | 0.52 | — | — | |
| SCHEMBL7272958 | 0.50 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1608317-A4 | DIPEPTIDYL PEPTIDASE INHIBITORS | TAKEDA PHARMACEUTICAL (JP) | 2006-12-27 | — | — | EP | claimed |
| EP-1608317-A2 | DIPEPTIDYL PEPTIDASE INHIBITORS | Takeda San Diego, Inc. (US) | 2005-12-28 | — | — | EP | claimed |
| WO-2004087053-A2 | DIPEPTIDYL PEPTIDASE INHIBITORS | SYRRX, INC. (US) | 2004-10-14 | — | — | WO | claimed |