⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL455162 | 0.82 | — | — | |
| SCHEMBL4823996 | 0.82 | — | — | |
| SCHEMBL455163 | 0.82 | — | — | |
| SCHEMBL28155937 | 0.76 | — | — | |
| Methyl Phosphonate SCHEMBL28068878 | 0.75 | CA2 (0.47) | — | |
| SCHEMBL13716363 | 0.73 | — | — | |
| SCHEMBL88446 | 0.73 | — | — | |
| Acetone SCHEMBL27619394 | 0.72 | — | — | |
| SCHEMBL27181872 | 0.70 | — | — | |
| SCHEMBL27779707 | 0.70 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-104761446-A | Preparation method of 2-bromo-2,2-difluoroacetyl chloride and 2-bromo-2,2-difluoro acetate and recycling method of waste difluoro trichloroethane | JIANGXI SUNWAY CHEM CO LTD | 2015-07-08 | — | — | CN | disclosed |