⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22212948 | 0.91 | — | — | |
| SCHEMBL18676983 | 0.71 | NOS3 (0.30) | — | |
| SCHEMBL18677281 | 0.69 | — | — | |
| SCHEMBL18676899 | 0.68 | — | — | |
| SCHEMBL1426393 | 0.58 | — | — | |
| SCHEMBL22275567 | 0.56 | — | — | |
| SCHEMBL12533496 | 0.56 | — | — | |
| Iodide SCHEMBL22654523 | 0.55 | — | — | |
| SCHEMBL21185995 | 0.54 | — | — | |
| SCHEMBL5853434 | 0.52 | — | — |
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-112708090-B | Carbon-carbon double bond bridged covalent organic framework material and preparation method thereof | 上海交通大学 | 2021-10-26 | — | — | CN | claimed |
| CN-112708090-A | Carbon-carbon double bond bridged covalent organic framework material and preparation method thereof | 上海交通大学 | 2021-04-27 | — | — | CN | claimed |
| CN-112708090-B | Carbon-carbon double bond bridged covalent organic framework material and preparation method thereof | 上海交通大学 | 2021-10-26 | — | — | CN | disclosed |
| CN-112708090-A | Carbon-carbon double bond bridged covalent organic framework material and preparation method thereof | 上海交通大学 | 2021-04-27 | — | — | CN | disclosed |