⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28376905 | 0.87 | — | — | |
| SCHEMBL33102 | 0.80 | — | — | |
| SCHEMBL33103 | 0.80 | — | — | |
| SCHEMBL2229940 | 0.80 | — | — | |
| Fluoride SCHEMBL28134808 | 0.75 | — | — | |
| SCHEMBL9859799 | 0.75 | — | — | |
| Tetrafluoroethylene SCHEMBL28186707 | 0.70 | — | — | |
| Tetrafluoroethylene SCHEMBL28066110 | 0.70 | — | — | |
| SCHEMBL529 | 0.67 | — | — | |
| SCHEMBL21072680 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2023095877-A1 | COMPOSITION | ダイキン工業株式会社 | 2023-06-01 | — | — | WO | disclosed |