⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL50913 | 0.97 | — | — | |
| SCHEMBL50914 | 0.97 | — | — | |
| SCHEMBL14038327 | 0.97 | — | — | |
| SCHEMBL27690687 | 0.94 | F7 (0.44) | — | |
| Hydrochloric Acid SCHEMBL11177053 | 0.94 | — | — | |
| Hydrogen Sulfide SCHEMBL15660671 | 0.94 | — | — | |
| SCHEMBL27916107 | 0.94 | — | — | |
| Fluoride SCHEMBL27802285 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL11177054 | 0.94 | — | — | |
| SCHEMBL10342310 | 0.91 | F7 (0.48) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113336651-A | Synthesis production process of nitrogen methyl 1-hexene | 南京爱可德夫科技开发有限公司 | 2021-09-03 | — | — | CN | claimed |
| CN-113336651-A | Synthesis production process of nitrogen methyl 1-hexene | 南京爱可德夫科技开发有限公司 | 2021-09-03 | — | — | CN | disclosed |
| CN-113336651-A | Synthesis production process of nitrogen methyl 1-hexene | 南京爱可德夫科技开发有限公司 | 2021-09-03 | — | — | CN | disclosed |