⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2628988 | 0.76 | — | — | |
| SCHEMBL19256893 | 0.75 | GABRP (0.33) | — | |
| SCHEMBL1367197 | 0.74 | — | — | |
| SCHEMBL11971211 | 0.74 | SMN1; SMN2 (0.39) | — | |
| SCHEMBL26365196 | 0.74 | — | — | |
| SCHEMBL19256894 | 0.72 | GAA (0.32) | — | |
| SCHEMBL19256888 | 0.72 | PTGS1 (0.38) | — | |
| SCHEMBL9643722 | 0.72 | HCAR2 (0.53) | — | |
| SCHEMBL12461687 | 0.71 | CDK2 (0.39) | — | |
| SCHEMBL11955122 | 0.71 | PTGS1 (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-9730449-B2 | Thiazole compound and its use in pest control | SUMITOMO CHEMICAL COMPANY, LIMITED (JP) | 2017-08-15 | — | — | US | disclosed |