⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL19297201 | 0.69 | — | — | |
| Thiourea SCHEMBL7593798 | 0.53 | — | — | |
| Thiourea SCHEMBL2232139 | 0.53 | — | — | |
| Thiourea SCHEMBL30121260 | 0.53 | TSHR (0.75) | — | |
| Thiourea SCHEMBL10390991 | 0.53 | — | — | |
| Thiourea SCHEMBL17728202 | 0.53 | TSHR (0.75) | — | |
| Thiourea SCHEMBL15353549 | 0.53 | TSHR (0.75) | — | |
| Thiourea SCHEMBL15353197 | 0.53 | TSHR (0.75) | — | |
| Thiourea SCHEMBL15353245 | 0.53 | TSHR (0.75) | — | |
| Thiourea SCHEMBL4933733 | 0.53 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-112689631-A | Microbicidal oxadiazole derivatives | 先正达农作物保护股份公司 | 2021-04-20 | — | — | CN | disclosed |