⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL39416 | 0.97 | — | — | |
| SCHEMBL27472571 | 0.97 | INMT (0.39) | — | |
| SCHEMBL28518505 | 0.94 | — | — | |
| SCHEMBL28352233 | 0.94 | — | — | |
| SCHEMBL28508731 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL7994107 | 0.94 | — | — | |
| Water SCHEMBL5807420 | 0.94 | INMT (0.37) | — | |
| Ammonia Solution, Strong SCHEMBL2101344 | 0.94 | — | — | |
| SCHEMBL8418185 | 0.94 | — | — | |
| SCHEMBL29287903 | 0.94 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108368098-B | Microbicidal oxadiazole derivatives | 先正达参股股份有限公司 | 2022-01-28 | — | — | CN | disclosed |
| CN-100567306-C | Silylierte carboxamide | BAYER CROPSCIENCE AG (DE) | 2009-12-09 | — | — | CN | disclosed |
| CN-1882596-A | Silylated carboxamides | BAYER CROPSCIENCE AG (DE) | 2006-12-20 | — | — | CN | disclosed |
| CN-1871221-A | N-substituted pyrazolyl carboxanilides | BAYER CROPSCIENCE AG (DE) | 2006-11-29 | — | — | CN | disclosed |