⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2211631 | 0.72 | — | — | |
| SCHEMBL8381239 | 0.72 | TSHR (0.47) | — | |
| SCHEMBL925795 | 0.69 | — | — | |
| SCHEMBL16271854 | 0.67 | — | — | |
| SCHEMBL17080293 | 0.67 | — | — | |
| SCHEMBL24001904 | 0.65 | — | — | |
| SCHEMBL9508088 | 0.65 | TSHR (0.39) | — | |
| SCHEMBL22219855 | 0.65 | — | — | |
| SCHEMBL9214269 | 0.65 | — | — | |
| SCHEMBL10660523 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3186262-B1 | FLUOROSILICON NITRILE COMPOUNDS | ARKEMA INC (US) | 2020-01-29 | — | — | EP | disclosed |