⚠ 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 | |
|---|---|---|---|---|
| Fluoride SCHEMBL9437925 | 1.00 | — | — | |
| Fluoride SCHEMBL27531674 | 0.93 | — | — | |
| Fluoride SCHEMBL132579 | 0.91 | — | — | |
| Fluoride SCHEMBL15796527 | 0.91 | — | — | |
| Fluoride SCHEMBL28694596 | 0.91 | — | — | |
| SCHEMBL33435 | 0.91 | — | — | |
| Fluoride SCHEMBL28148204 | 0.91 | — | — | |
| Fluoride SCHEMBL1776832 | 0.91 | — | — | |
| Fluoride SCHEMBL28022050 | 0.87 | — | — | |
| Fluoride SCHEMBL11426305 | 0.83 | — | — |
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-104024225-A | Pesticidal compounds | SYNGENTA PARTICIPATIONS AG | 2014-09-03 | — | — | CN | disclosed |
| CN-104010505-A | Pesticidal compositions and methods related thereto | DOW AGROSCIENCES LLC | 2014-08-27 | — | — | CN | disclosed |