⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20528031 | 0.72 | — | — | |
| SCHEMBL27705018 | 0.69 | — | — | |
| SCHEMBL27705004 | 0.69 | — | — | |
| SCHEMBL27433072 | 0.67 | — | — | |
| SCHEMBL21758101 | 0.67 | — | — | |
| SCHEMBL27607090 | 0.67 | — | — | |
| SCHEMBL22776135 | 0.67 | — | — | |
| SCHEMBL19813851 | 0.65 | — | — | |
| SCHEMBL27607174 | 0.63 | — | — | |
| SCHEMBL101147 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102686573-B | Fluorinated oxa or thia heteroarylalkylsulfide derivatives for combating invertebrate pests | MERIAL LTD | 2015-03-11 | — | — | CN | disclosed |