⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3942494 | 0.97 | — | — | |
| SCHEMBL896105 | 0.95 | — | — | |
| SCHEMBL1280243 | 0.92 | LMNA (0.32) | — | |
| SCHEMBL7051330 | 0.86 | — | — | |
| Bicarbonate SCHEMBL443478 | 0.84 | THRB (0.37) | — | |
| SCHEMBL13604512 | 0.83 | — | — | |
| SCHEMBL6114332 | 0.77 | — | — | |
| SCHEMBL3181914 | 0.75 | — | — | |
| SCHEMBL3181918 | 0.75 | — | — | |
| SCHEMBL664429 | 0.75 | PDK1 (0.30) | — |
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-6054615-A | Fluorinated quaternary ammonium salts | E.I. DU PONT DE NEMOURS AND COMPANY (US) | 2000-04-25 | — | — | US | disclosed |