⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL27687549 | 0.83 | — | — | |
| Methyl Alcohol SCHEMBL28633344 | 0.80 | — | — | |
| SCHEMBL2650393 | 0.80 | — | — | |
| SCHEMBL810675 | 0.80 | — | — | |
| SCHEMBL27697214 | 0.78 | CA2 (0.52) | — | |
| SCHEMBL8160285 | 0.76 | GAA (0.31) | — | |
| Methyl Alcohol SCHEMBL28201258 | 0.75 | — | — | |
| SCHEMBL16370918 | 0.75 | LMNA (0.42) | — | |
| SCHEMBL16821 | 0.75 | — | — | |
| SCHEMBL18906335 | 0.75 | — | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6020502-A | Preparation of fluorinated dicarbonyls | BNFL FLUOROCHEMICALS LTD. (GB) | 2000-02-01 | — | — | US | disclosed |
| EP-0738248-A1 | THE PREPARATION OF DICARBONYLS | BNFL FLUOROCHEMICALS LTD. (GB) | 1996-10-23 | — | — | EP | disclosed |
| WO-1995014646-A1 | THE PREPARATION OF DICARBONYLS | BNFL FLUOROCHEMICALS LTD (GB) | 1995-06-01 | — | — | WO | disclosed |