⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12820958 | 0.79 | — | — | |
| SCHEMBL18357796 | 0.79 | — | — | |
| SCHEMBL10175234 | 0.79 | — | — | |
| SCHEMBL12593296 | 0.77 | — | — | |
| SCHEMBL23135369 | 0.75 | ALDH1A1 (0.32) | — | |
| SCHEMBL21180900 | 0.75 | — | — | |
| SCHEMBL20491447 | 0.73 | — | — | |
| SCHEMBL805957 | 0.73 | — | — | |
| SCHEMBL12450123 | 0.73 | — | — | |
| SCHEMBL11984277 | 0.73 | — | — |
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-2017031918-A1 | LONG-ACTING DIPEPTIDYL PEPTIDASE-IV INHIBITOR, APPLICATIONS, AND PREPARATION METHOD FOR INTERMEDIATE THEREOF | 四川科伦药物研究院有限公司 | 2017-03-02 | — | — | WO | disclosed |