⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL190251 | 1.00 | — | — | |
| SCHEMBL25668 | 1.00 | — | — | |
| SCHEMBL3630816 | 1.00 | — | — | |
| SCHEMBL3041393 | 0.92 | — | — | |
| SCHEMBL459441 | 0.88 | — | — | |
| SCHEMBL10594125 | 0.84 | — | — | |
| SCHEMBL94907 | 0.84 | — | — | |
| SCHEMBL6267031 | 0.84 | — | — | |
| SCHEMBL597674 | 0.81 | — | — | |
| SCHEMBL6415203 | 0.79 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-5116898-A | Halogenated hydrocarbon, halogenated diphenyl ether | ETHYL CORPORATION (US) | 1992-05-26 | — | — | US | disclosed |