⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23748393 | 0.79 | — | — | |
| SCHEMBL1192054 | 0.77 | — | — | |
| SCHEMBL1991395 | 0.67 | ALDH1A1 (0.37) | — | |
| SCHEMBL12868464 | 0.67 | ALDH1A1 (0.37) | — | |
| SCHEMBL1191233 | 0.67 | — | — | |
| SCHEMBL12203387 | 0.65 | ALDH1A1 (0.35) | — | |
| SCHEMBL12354632 | 0.65 | ALDH1A1 (0.35) | — | |
| SCHEMBL1986223 | 0.65 | ALDH1A1 (0.35) | — | |
| SCHEMBL7362361 | 0.61 | ALDH1A1 (0.37) | — | |
| SCHEMBL4871636 | 0.61 | — | — |
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 3 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-20060178350-A1 | 7-(2-Cyclohexylidene-ethylidene)-spiro[4.5]decanes | UNIVERSITEIT GENT (BE) | 2006-08-10 | — | — | US | disclosed |
| WO-2006060884-A1 | 7-(2-CYCLOHEXYLIDENE-ETHYLIDENE)-SPIRO[4.5]DECANES | K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) | 2006-06-15 | — | — | WO | disclosed |