⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13456752 | 0.80 | — | — | |
| SCHEMBL13475722 | 0.76 | — | — | |
| SCHEMBL6063062 | 0.71 | — | — | |
| SCHEMBL29326728 | 0.69 | — | — | |
| SCHEMBL18747151 | 0.68 | — | — | |
| SCHEMBL21241797 | 0.68 | — | — | |
| SCHEMBL27280324 | 0.67 | ATM (0.33) | — | |
| SCHEMBL13942002 | 0.66 | — | — | |
| SCHEMBL18570976 | 0.66 | — | — | |
| SCHEMBL24932647 | 0.64 | — | — |
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 |