⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1191908 | 1.00 | — | — | |
| SCHEMBL12932242 | 0.77 | — | — | |
| SCHEMBL8053135 | 0.74 | TSHR (0.32) | — | |
| SCHEMBL8053130 | 0.74 | TSHR (0.32) | — | |
| SCHEMBL19359105 | 0.73 | — | — | |
| SCHEMBL13366747 | 0.73 | — | — | |
| SCHEMBL4866831 | 0.72 | — | — | |
| SCHEMBL4866834 | 0.72 | — | — | |
| SCHEMBL16687629 | 0.71 | — | — | |
| SCHEMBL468122 | 0.70 | — | — |
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 7 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 | claimed |
| US-20060178350-A1 | 7-(2-Cyclohexylidene-ethylidene)-spiro[4.5]decanes | UNIVERSITEIT GENT (BE) | 2006-08-10 | — | — | US | claimed |
| WO-2006060884-A1 | 7-(2-CYCLOHEXYLIDENE-ETHYLIDENE)-SPIRO[4.5]DECANES | K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) | 2006-06-15 | — | — | WO | claimed |
| 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-2006060885-A1 | 7-(2-CYCLOHEXYLIDENE-ETHYLIDENE)-SPIRO[5.5]UNDECANES USEFUL FOR MAKING PHARMACEUTICAL COMPOSITIONS | K.U.LEUVEN RESEARCH & DEVELOPMENT (BE) | 2006-06-15 | — | — | WO | disclosed |
| WO-2006060884-A1 | 7-(2-CYCLOHEXYLIDENE-ETHYLIDENE)-SPIRO[4.5]DECANES | K.U. LEUVEN RESEARCH & DEVELOPMENT (BE) | 2006-06-15 | — | — | WO | disclosed |