⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15214971 | 0.71 | KDM4E (0.33) | — | |
| SCHEMBL4937893 | 0.61 | — | — | |
| SCHEMBL2206447 | 0.52 | — | — | |
| SCHEMBL15598987 | 0.52 | — | — | |
| SCHEMBL827658 | 0.52 | — | — | |
| SCHEMBL8723350 | 0.48 | — | — | |
| SCHEMBL7123367 | 0.48 | LMNA (0.33) | — | |
| SCHEMBL11038922 | 0.47 | — | — | |
| SCHEMBL8723351 | 0.45 | — | — | |
| Calcium Chloride SCHEMBL5381230 | 0.40 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1201657-B1 | Imidazolium salts and the use of these ionic liquids as a solvent and as a catalyst | CENTRE NAT RECH SCIENT (FR) | 2004-05-06 | — | — | EP | claimed |
| US-6525228-B2 | Reacting a conjugated diene with a compound containing active hydrogen in the presence of a cataylst system comprising a transition metal compound, a phosphorus containing compound and atleast one salt | CELANESE CHEMICALS EUROPE GMBH (DE) | 2003-02-25 | — | — | US | disclosed |
| US-20020091281-A1 | Process of telomerizing conjugated dienes | CELANESE CHEMICALS EUROPE GMBH (DE) | 2002-07-11 | — | — | US | disclosed |
| EP-1201634-A1 | Process of telomerizing conjugated dienes | Celanese Chemicals Europe GmbH (DE) | 2002-05-02 | — | — | EP | disclosed |