⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2180877 | 0.97 | — | — | |
| SCHEMBL2182211 | 0.92 | — | — | |
| SCHEMBL256777 | 0.79 | — | — | |
| SCHEMBL2621586 | 0.69 | — | — | |
| Fluoride SCHEMBL27648634 | 0.68 | — | — | |
| Tetramethylene Sulfoxide SCHEMBL27830 | 0.67 | — | — | |
| SCHEMBL6009379 | 0.64 | — | — | |
| SCHEMBL1379043 | 0.64 | — | — | |
| Tetramethylene Sulfoxide SCHEMBL27262519 | 0.64 | — | — | |
| SCHEMBL256066 | 0.64 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9066518-B2 | Heterocyclic compounds as pesticides | BAYER INTELLECTUAL PROPERTY GMBH (DE) | 2015-06-30 | — | — | US | disclosed |
| US-20140221362-A1 | Heterocyclic Compounds as Pesticides | BAYER CROPSCIENCE AG (DE) | 2014-08-07 | — | — | US | disclosed |
| US-20110166143-A1 | Heterocyclic Compounds as Pesticides | BAYER CROPSCIENCE AG (DE) | 2011-07-07 | — | — | US | disclosed |