⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26089487 | 0.75 | ALDH1A1 (0.39) | — | |
| SCHEMBL216366 | 0.75 | — | — | |
| SCHEMBL6906960 | 0.73 | — | — | |
| Water SCHEMBL21725015 | 0.73 | ALDH1A1 (0.37) | — | |
| SCHEMBL11635042 | 0.71 | — | — | |
| SCHEMBL11193526 | 0.71 | — | — | |
| SCHEMBL4758128 | 0.71 | — | — | |
| SCHEMBL1135458 | 0.71 | — | — | |
| SCHEMBL18113926 | 0.70 | FAAH (0.33) | — | |
| SCHEMBL11356116 | 0.67 | CA2 (0.42) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-106478631-B | The preparation method of long-acting dipeptidyl peptidase-iv inhibitor, purposes and its intermediate | 四川科伦药物研究院有限公司 | 2019-04-05 | — | — | CN | disclosed |
| CN-106478631-A | The preparation method of long-acting dipeptidyl peptidase-iv inhibitor, purposes and its intermediate | 四川科伦药物研究院有限公司 | 2017-03-08 | — | — | CN | disclosed |