⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2382845 | 0.76 | — | — | |
| SCHEMBL17040773 | 0.76 | — | — | |
| SCHEMBL17040916 | 0.73 | — | — | |
| SCHEMBL23422898 | 0.73 | — | — | |
| SCHEMBL2494188 | 0.67 | — | — | |
| SCHEMBL6207167 | 0.55 | — | — | |
| SCHEMBL21676090 | 0.55 | — | — | |
| SCHEMBL22931283 | 0.55 | — | — | |
| SCHEMBL3695688 | 0.55 | — | — | |
| SCHEMBL3562022 | 0.55 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2004041795-A1 | NOVEL INHIBITORS OF DIPEPTIDYL PEPTIDASE IV | GUILFORD PHARMACEUTICALS INC. (US) | 2004-05-21 | — | — | WO | disclosed |