⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6130540 | 0.78 | — | — | |
| SCHEMBL7633193 | 0.75 | — | — | |
| SCHEMBL7633191 | 0.75 | — | — | |
| SCHEMBL728614 | 0.73 | — | — | |
| SCHEMBL722775 | 0.73 | — | — | |
| SCHEMBL726644 | 0.73 | — | — | |
| SCHEMBL23130881 | 0.73 | — | — | |
| SCHEMBL8055124 | 0.73 | — | — | |
| SCHEMBL5637984 | 0.71 | — | — | |
| SCHEMBL5637978 | 0.71 | — | — |
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 |