⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2476427 | 0.94 | — | — | |
| SCHEMBL115529 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL27967062 | 0.89 | — | — | |
| Bromide SCHEMBL30309125 | 0.89 | — | — | |
| Tetrafluoroethylene SCHEMBL29276260 | 0.84 | — | — | |
| Ethylene Glycol SCHEMBL892247 | 0.77 | — | — | |
| Bicarbonate SCHEMBL1055054 | 0.77 | — | — | |
| SCHEMBL2876782 | 0.74 | — | — | |
| SCHEMBL2876781 | 0.74 | — | — | |
| SCHEMBL2803322 | 0.71 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113173830-A | Synthesis method of 1, 1-difluoro-2-propylene hydrocarbon compound | 合肥工业大学 | 2021-07-27 | — | — | CN | claimed |
| CN-113173830-A | Synthesis method of 1, 1-difluoro-2-propylene hydrocarbon compound | 合肥工业大学 | 2021-07-27 | — | — | CN | disclosed |
| CN-113173830-A | Synthesis method of 1, 1-difluoro-2-propylene hydrocarbon compound | 合肥工业大学 | 2021-07-27 | — | — | CN | disclosed |
| CN-113173830-A | Synthesis method of 1, 1-difluoro-2-propylene hydrocarbon compound | 合肥工业大学 | 2021-07-27 | — | — | CN | disclosed |