⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2779452 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL26625489 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL29558253 | 0.94 | — | — | |
| SCHEMBL29935635 | 0.92 | — | — | |
| Cycloheptane SCHEMBL28002455 | 0.89 | — | — | |
| Cyclooctane SCHEMBL27994201 | 0.89 | — | — | |
| Cycloheptane SCHEMBL28185984 | 0.87 | — | — | |
| SCHEMBL30200881 | 0.86 | — | — | |
| SCHEMBL31304810 | 0.86 | — | — | |
| SCHEMBL29790097 | 0.86 | — | — |
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 |