⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11125888 | 0.82 | ABCC4 (0.32) | — | |
| SCHEMBL3958433 | 0.76 | GRM2 (0.32) | — | |
| SCHEMBL3958437 | 0.76 | GRM2 (0.32) | — | |
| SCHEMBL3549256 | 0.75 | APLNR (0.32) | — | |
| SCHEMBL3150967 | 0.73 | — | — | |
| SCHEMBL30159080 | 0.69 | POLB (0.32) | — | |
| SCHEMBL10587475 | 0.69 | GRM2 (0.57) | — | |
| SCHEMBL11040462 | 0.69 | GRM2 (0.31) | — | |
| SCHEMBL30159039 | 0.69 | POLB (0.32) | — | |
| SCHEMBL31634970 | 0.68 | — | — |
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 |