⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27735135 | 0.78 | — | — | |
| SCHEMBL1190429 | 0.75 | — | — | |
| SCHEMBL1189427 | 0.75 | — | — | |
| SCHEMBL292898 | 0.75 | — | — | |
| SCHEMBL1190322 | 0.75 | — | — | |
| SCHEMBL1189007 | 0.75 | — | — | |
| SCHEMBL1189225 | 0.75 | — | — | |
| SCHEMBL1191654 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL1190419 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL25233605 | 0.73 | — | — |
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-2023016521-A1 | SUBSTITUTED TRIAZOLE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF | 上海赛默罗生物科技有限公司 | 2023-02-16 | — | — | WO | disclosed |
| WO-2022125989-A1 | COMPOUNDS AND USE THEREOF FOR TREATMENT OF NEURODEGENERATIVE, DEGENERATIVE AND METABOLIC DISORDERS | SCRIPPS RESEARCH INSTITUTE, THE (US) | 2022-06-16 | — | — | WO | disclosed |