⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28999971 | 0.75 | — | — | |
| SCHEMBL30378512 | 0.74 | — | — | |
| SCHEMBL14269310 | 0.72 | KCNA4 (0.31) | — | |
| SCHEMBL28999983 | 0.70 | MEN1 (0.32) | — | |
| SCHEMBL28999981 | 0.69 | — | — | |
| SCHEMBL14269305 | 0.68 | — | — | |
| SCHEMBL1280015 | 0.66 | KCNA4 (0.32) | — | |
| SCHEMBL1280013 | 0.66 | KCNA4 (0.32) | — | |
| SCHEMBL18920807 | 0.66 | KCNA4 (0.32) | — | |
| SCHEMBL18920808 | 0.66 | KCNA4 (0.32) | — |
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-113121357-B | 2-nitrovinyl cyclopropane compound and synthesis method thereof | 上海大学 | 2023-05-16 | — | — | CN | disclosed |
| CN-113121357-A | 2-nitrovinyl cyclopropane compound and synthetic method thereof | 上海大学 | 2021-07-16 | — | — | CN | disclosed |