⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7193255 | 0.89 | — | — | |
| SCHEMBL7193602 | 0.89 | — | — | |
| SCHEMBL7194514 | 0.89 | — | — | |
| SCHEMBL7194556 | 0.84 | — | — | |
| SCHEMBL7191801 | 0.84 | — | — | |
| SCHEMBL7193274 | 0.84 | — | — | |
| SCHEMBL7185388 | 0.84 | — | — | |
| SCHEMBL7194521 | 0.81 | — | — | |
| SCHEMBL7187935 | 0.81 | CES2 (0.31) | — | |
| SCHEMBL7188872 | 0.81 | CES2 (0.31) | — |
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-6215032-B1 | SOLVENT EXTRACTION; SEPARATING AMINOPHOSPHONIUM CATALYST; FLUORINATION OF HALOAROMATIC COMPOUND BY REPLACEMENT REACTION WITH ALKALI METAL FLUORIDE | ALBEMARLE CORPORATION | 2001-04-10 | — | — | US | disclosed |