⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25594578 | 0.82 | — | — | |
| SCHEMBL7150361 | 0.81 | TSHR (0.33) | — | |
| SCHEMBL18571533 | 0.79 | — | — | |
| SCHEMBL21170061 | 0.77 | — | — | |
| SCHEMBL21486310 | 0.74 | — | — | |
| SCHEMBL21251396 | 0.73 | — | — | |
| SCHEMBL19967252 | 0.69 | — | — | |
| SCHEMBL7206547 | 0.69 | MEN1 (0.47) | — | |
| SCHEMBL18571217 | 0.68 | — | — | |
| SCHEMBL11862202 | 0.67 | — | — |
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 |