⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12872013 | 1.00 | — | — | |
| SCHEMBL12871914 | 1.00 | — | — | |
| SCHEMBL12871928 | 1.00 | — | — | |
| SCHEMBL1191260 | 0.85 | — | — | |
| SCHEMBL12871934 | 0.85 | — | — | |
| SCHEMBL12871909 | 0.85 | — | — | |
| SCHEMBL12871910 | 0.85 | — | — | |
| SCHEMBL12871931 | 0.85 | — | — | |
| SCHEMBL12886331 | 0.77 | HSD11B1 (0.31) | — | |
| SCHEMBL1986738 | 0.76 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-7888338-B2 | 7-(2-cyclohexylidene-ethylidene)-spiro[4.5]decanes | K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) | 2011-02-15 | — | — | US | disclosed |
| US-7888338-B2 | 7-(2-cyclohexylidene-ethylidene)-spiro[4.5]decanes | K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) | 2011-02-15 | — | — | US | disclosed |