⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24252214 | 0.74 | — | — | |
| SCHEMBL24252408 | 0.73 | GSK3B (0.33) | — | |
| SCHEMBL24252217 | 0.73 | — | — | |
| SCHEMBL24252372 | 0.73 | ALDH1A1 (0.33) | — | |
| SCHEMBL24252376 | 0.72 | CLK4 (0.31) | — | |
| SCHEMBL24252213 | 0.69 | ALDH1A1 (0.33) | — | |
| SCHEMBL24252378 | 0.66 | LMNA (0.35) | — | |
| SCHEMBL24252377 | 0.65 | HRH3 (0.35) | — | |
| SCHEMBL24252219 | 0.64 | PRKDC (0.33) | — | |
| SCHEMBL171853 | 0.53 | HDAC8 (0.47) | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2022034203-A1 | PROCESS FOR THE PREPARATION OF PYRIDAZINONE DERIVATIVES | SYNGENTA CROP PROTECTION AG (CH) | 2022-02-17 | — | — | WO | disclosed |