⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7994513 | 0.81 | ACLY (0.37) | — | |
| SCHEMBL7997945 | 0.71 | SMN1; SMN2 (0.36) | — | |
| SCHEMBL7998327 | 0.71 | MAPK14 (0.32) | — | |
| SCHEMBL7998442 | 0.63 | GAA (0.46) | — | |
| SCHEMBL8001777 | 0.62 | SCN9A (0.33) | — | |
| SCHEMBL7998317 | 0.62 | ALDH1A1 (0.49) | — | |
| SCHEMBL7994379 | 0.61 | PABPC1 (0.38) | — | |
| SCHEMBL7734101 | 0.59 | MEN1 (0.38) | — | |
| SCHEMBL9968617 | 0.59 | PDE10A (0.62) | — | |
| SCHEMBL7984205 | 0.56 | PDE10A (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-2001055140-A1 | ISOTHIAZOLE DERIVATIVES AND THEIR USE AS PESTICIDES | SYNGENTA LIMITED (GB) | 2001-08-02 | — | — | WO | disclosed |