⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL661315 | 0.71 | — | — | |
| SCHEMBL17012530 | 0.62 | — | — | |
| SCHEMBL20620477 | 0.62 | — | — | |
| SCHEMBL3885376 | 0.62 | — | — | |
| SCHEMBL21945928 | 0.62 | — | — | |
| SCHEMBL12791539 | 0.62 | — | — | |
| SCHEMBL8803659 | 0.60 | — | — | |
| SCHEMBL1177248 | 0.59 | — | — | |
| SCHEMBL320324 | 0.58 | — | — | |
| SCHEMBL3548940 | 0.57 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| 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 |
| WO-2015095477-A1 | [1,2,4]TRIAZOLO[1,5-A]PYRIMIDINE DERIVATIVES AS PROTOZOAN PROTEASOME INHIBITORS FOR THE TREATMENT OF PARASITIC DISEASES SUCH AS LEISHMANIASIS | IRM LLC (BM) | 2015-06-25 | — | — | WO | disclosed |