⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5180743 | 0.64 | — | — | |
| SCHEMBL18104652 | 0.64 | — | — | |
| SCHEMBL28026111 | 0.63 | — | — | |
| SCHEMBL28065226 | 0.63 | — | — | |
| SCHEMBL5179726 | 0.62 | — | — | |
| SCHEMBL1059901 | 0.61 | — | — | |
| SCHEMBL28878222 | 0.61 | — | — | |
| SCHEMBL11207776 | 0.61 | — | — | |
| SCHEMBL13292575 | 0.61 | — | — | |
| SCHEMBL1598090 | 0.59 | — | — |
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-2017024167-A1 | PROCESS FOR FLUORINATING COMPOUNDS | DOW AGROSCIENCES LLC (US) | 2017-02-09 | — | — | WO | disclosed |