⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23400244 | 0.78 | — | — | |
| SCHEMBL23400652 | 0.75 | — | — | |
| SCHEMBL23401587 | 0.74 | KDM4E (0.40) | — | |
| SCHEMBL23401047 | 0.72 | NPC1 (0.34) | — | |
| SCHEMBL23399850 | 0.69 | — | — | |
| SCHEMBL23401564 | 0.67 | — | — | |
| SCHEMBL23400662 | 0.66 | KDM4E (0.31) | — | |
| SCHEMBL15435244 | 0.66 | JAK3 (0.37) | — | |
| SCHEMBL23401132 | 0.63 | GABRA1 (0.35) | — | |
| SCHEMBL23401916 | 0.61 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111574530-B | ACC inhibitor and medical application thereof | 徐州医科大学 | 2022-07-26 | — | — | CN | disclosed |
| CN-111574530-A | ACC inhibitor and medical application thereof | 徐州医科大学 | 2020-08-25 | — | — | CN | disclosed |
| EP-2297164-A1 | PYRAZOLOSPIROKETONE ACETYL-COA CARBOXYLASE INHIBITORS | Pfizer Inc. (US) | 2011-03-23 | — | — | EP | disclosed |
| WO-2009144555-A1 | PYRAZOLOSPIROKETONE ACETYL-COA CARBOXYLASE INHIBITORS | PFIZER INC. (US) | 2009-12-03 | — | — | WO | disclosed |