⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10005107 | 0.78 | SLC6A2 (0.34) | — | |
| SCHEMBL10063452 | 0.65 | — | — | |
| SCHEMBL1703294 | 0.65 | — | — | |
| SCHEMBL20302014 | 0.65 | — | — | |
| SCHEMBL12852435 | 0.60 | — | — | |
| SCHEMBL20301742 | 0.58 | — | — | |
| SCHEMBL9670884 | 0.56 | — | — | |
| SCHEMBL1703362 | 0.51 | — | — | |
| SCHEMBL4872107 | 0.51 | — | — | |
| SCHEMBL1466227 | 0.48 | — | — |
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-2018116073-A1 | 1, 2, 3-THIADIAZOLE COMPOUNDS AND THEIR USE AS CROP PROTECTING AGENT | PI INDUSTRIES LTD. (IN) | 2018-06-28 | — | — | WO | disclosed |