⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8463112 | 0.77 | SLC6A2 (0.55) | — | |
| SCHEMBL6632463 | 0.77 | — | — | |
| Bromide SCHEMBL28321118 | 0.74 | SLC6A2 (0.46) | — | |
| SCHEMBL1515379 | 0.72 | — | — | |
| SCHEMBL7447731 | 0.72 | — | — | |
| SCHEMBL27668974 | 0.72 | — | — | |
| SCHEMBL7810592 | 0.72 | — | — | |
| SCHEMBL6631536 | 0.72 | — | — | |
| SCHEMBL29153377 | 0.72 | SLC6A2 (0.44) | — | |
| SCHEMBL183928 | 0.72 | — | — |
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-103012253-A | Synthesizing method of 2,2-difluoro-2-(4-pyridyl)-ethyl acetate | WUXI APPTEC CO LTD | 2013-04-03 | — | — | CN | disclosed |