⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13676302 | 0.76 | — | — | |
| SCHEMBL28808082 | 0.73 | — | — | |
| SCHEMBL7195081 | 0.71 | HCAR2 (0.38) | — | |
| SCHEMBL30492177 | 0.69 | — | — | |
| Nitrogen SCHEMBL29248631 | 0.68 | — | — | |
| Water SCHEMBL29020661 | 0.67 | — | — | |
| SCHEMBL20472691 | 0.67 | TSHR (0.37) | — | |
| SCHEMBL332010 | 0.67 | — | — | |
| SCHEMBL155012 | 0.67 | — | — | |
| SCHEMBL9703507 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20120046455-A1 | Catalytic Cyclopropanation of Alkenes with Alpha-Cyano-Diazoacetates | NATIONAL SCIENCE FOUNDATION | 2012-02-23 | — | — | US | disclosed |