⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4329739 | 0.76 | — | — | |
| SCHEMBL9567916 | 0.76 | — | — | |
| SCHEMBL18757819 | 0.67 | — | — | |
| SCHEMBL7574392 | 0.67 | — | — | |
| SCHEMBL1325231 | 0.66 | — | — | |
| SCHEMBL6425142 | 0.64 | — | — | |
| SCHEMBL28057367 | 0.62 | — | — | |
| SCHEMBL27892887 | 0.62 | — | — | |
| SCHEMBL11228278 | 0.62 | — | — | |
| SCHEMBL22264947 | 0.62 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108882704-A | Molecule with desinsection effectiveness, and intermediate relevant to these molecules, composition and method | 美国陶氏益农公司 | 2018-11-23 | — | — | CN | disclosed |
| CN-1170630-A | Process for reacting organic compound in presence of ruthenium catalyst formed in situ | BASF AG (DE) | 1998-01-21 | — | — | CN | disclosed |