⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18650812 | 0.70 | LMNA (0.30) | — | |
| SCHEMBL22916073 | 0.69 | ALDH1A1 (0.32) | — | |
| SCHEMBL13684351 | 0.66 | GRM5 (0.34) | — | |
| SCHEMBL22916049 | 0.66 | CYP2D6 (0.33) | — | |
| SCHEMBL22307363 | 0.66 | HSD11B1 (0.34) | — | |
| SCHEMBL29348245 | 0.65 | OPRM1 (0.30) | — | |
| SCHEMBL18766418 | 0.65 | OPRM1 (0.30) | — | |
| SCHEMBL1106465 | 0.64 | GAA (0.34) | — | |
| SCHEMBL29331615 | 0.63 | LIPE (0.33) | — | |
| SCHEMBL14488660 | 0.63 | LMNA (0.37) | — |
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-2021013721-A1 | 5-AMINO SUBSTITUTED PYRAZOLES AND TRIAZOLES AS PEST CONTROL AGENTS | BAYER AKTIENGESELLSCHAFT (DE) | 2021-01-28 | — | — | WO | disclosed |