⚠ 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 | |
|---|---|---|---|---|
| Formic Acid SCHEMBL28089461 | 0.82 | — | — | |
| SCHEMBL27280303 | 0.82 | — | — | |
| SCHEMBL25410285 | 0.80 | — | — | |
| Methoxymethane SCHEMBL28015227 | 0.78 | — | — | |
| Formic Acid Methyl Ester SCHEMBL28221957 | 0.77 | — | — | |
| Formic Acid SCHEMBL27279500 | 0.73 | — | — | |
| SCHEMBL171477 | 0.73 | — | — | |
| SCHEMBL27581319 | 0.71 | — | — | |
| SCHEMBL27295653 | 0.71 | — | — | |
| Glutaral SCHEMBL22399964 | 0.71 | HIF1A (0.34) | — |
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-104829420-A | Method for carrying out direct heptafluoro-isopropylation on aryl diazo salts through hexafluoropropylene | SHANGHAI INST ORGANIC CHEM | 2015-08-12 | — | — | CN | disclosed |