⚠ 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 | |
|---|---|---|---|---|
| Carbonyl Cyanide SCHEMBL28335513 | 0.77 | — | — | |
| Carbonyl Cyanide SCHEMBL28176227 | 0.76 | — | — | |
| Carbonyl Cyanide SCHEMBL18924 | 0.76 | — | — | |
| SCHEMBL529780 | 0.76 | — | — | |
| Carbonyl Cyanide SCHEMBL28230567 | 0.72 | — | — | |
| SCHEMBL5435213 | 0.69 | — | — | |
| Propiolic Acid SCHEMBL28927715 | 0.67 | — | — | |
| SCHEMBL2024592 | 0.67 | — | — | |
| SCHEMBL15662481 | 0.65 | — | — | |
| SCHEMBL5440262 | 0.65 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-113773226-A | Process for the preparation of cyanopropine derivatives, liquid-crystalline medium and liquid-crystalline lens | 南昌虚拟现实研究院股份有限公司 | 2021-12-10 | — | — | CN | disclosed |
| CN-113604227-A | Liquid crystal medium, preparation method thereof and liquid crystal lens | 南昌虚拟现实研究院股份有限公司 | 2021-11-05 | — | — | CN | disclosed |