⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2651116 | 0.89 | RAB9A (0.32) | — | |
| SCHEMBL1340119 | 0.85 | RAB9A (0.33) | — | |
| SCHEMBL1343094 | 0.85 | MAPT (0.34) | — | |
| SCHEMBL2650217 | 0.83 | GRM4 (0.31) | — | |
| SCHEMBL2650039 | 0.81 | GAA (0.31) | — | |
| SCHEMBL2649453 | 0.80 | IDH1 (0.31) | — | |
| SCHEMBL1342466 | 0.79 | ALDH1A1 (0.33) | — | |
| SCHEMBL1341304 | 0.77 | MAPT (0.33) | — | |
| SCHEMBL1343081 | 0.77 | NTRK1 (0.33) | — | |
| SCHEMBL1341958 | 0.77 | MAPT (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1531815-A1 | GLUCOKINASE ACTIVATORS | NOVO NORDISK A/S (DK) | 2005-05-25 | — | — | EP | disclosed |
| WO-2004002481-A1 | ARYL CARBONYL DERIVATIVES AS THERAPEUTIC AGENTS | NOVO NORDISK A/S (DK) | 2004-01-08 | — | — | WO | disclosed |