⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10073885 | 0.78 | CTSK (0.33) | — | |
| SCHEMBL669757 | 0.78 | CTSK (0.34) | — | |
| SCHEMBL668943 | 0.76 | CTSK (0.30) | — | |
| SCHEMBL669465 | 0.76 | CTSK (0.32) | — | |
| SCHEMBL10073864 | 0.75 | CTSK (0.32) | — | |
| SCHEMBL670221 | 0.75 | — | — | |
| SCHEMBL10073882 | 0.72 | MEN1 (0.31) | — | |
| SCHEMBL10073874 | 0.72 | MEN1 (0.37) | — | |
| SCHEMBL14479561 | 0.71 | HSD11B1 (0.33) | — | |
| SCHEMBL10073880 | 0.71 | CTSK (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 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 |