⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL25436526 | 0.73 | — | — | |
| SCHEMBL6704060 | 0.68 | — | — | |
| SCHEMBL18011037 | 0.68 | — | — | |
| SCHEMBL333796 | 0.68 | — | — | |
| SCHEMBL8636954 | 0.65 | — | — | |
| SCHEMBL1320186 | 0.62 | — | — | |
| SCHEMBL3713171 | 0.62 | — | — | |
| SCHEMBL5232123 | 0.62 | — | — | |
| SCHEMBL1994642 | 0.62 | — | — | |
| SCHEMBL2104112 | 0.62 | — | — |
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-112745225-A | Preparation method of 1,1, 1-trifluoro-isopropylamine | 浙江省化工研究院有限公司 | 2021-05-04 | — | — | CN | disclosed |