⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL21214317 | 0.83 | — | — | |
| SCHEMBL24577837 | 0.82 | — | — | |
| SCHEMBL18477122 | 0.81 | — | — | |
| SCHEMBL21101276 | 0.79 | — | — | |
| SCHEMBL2706869 | 0.78 | — | — | |
| SCHEMBL12437202 | 0.78 | — | — | |
| SCHEMBL21101277 | 0.76 | — | — | |
| SCHEMBL14626882 | 0.76 | — | — | |
| SCHEMBL12438204 | 0.74 | — | — | |
| SCHEMBL24754251 | 0.74 | — | — |
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-2023097190-A1 | AMPK ACTIVATORS | KALLYOPE, INC. (US) | 2023-06-01 | — | — | WO | disclosed |
| WO-2023011581-A1 | NITROGEN-CONTAINING HETEROCYCLIC COMPOUND, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL APPLICATION THEREOF | 江苏恒瑞医药股份有限公司 | 2023-02-09 | — | — | WO | disclosed |