⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7060103 | 1.00 | — | — | |
| SCHEMBL19113220 | 0.76 | — | — | |
| SCHEMBL503840 | 0.72 | — | — | |
| SCHEMBL14394636 | 0.72 | — | — | |
| SCHEMBL503841 | 0.72 | — | — | |
| SCHEMBL11816757 | 0.70 | — | — | |
| SCHEMBL16377343 | 0.70 | TSHR (0.44) | — | |
| SCHEMBL11469042 | 0.69 | — | — | |
| SCHEMBL11475251 | 0.67 | — | — | |
| SCHEMBL16797521 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1022266-B1 | Process for the production of secondary alkoxy-1-alkenes | CREANOVA INC (US) | 2003-05-14 | — | — | EP | disclosed |
| US-6235944-B1 | REACTION OF KETONE WITH ORTHOFORMATE ESTER AND ALKANOL, ACID CATALYST, AGITATION AND RECOVERING SECONDARY ALKOXY-1-ALKENE | CREANOVA INC. | 2001-05-22 | — | — | US | disclosed |
| EP-1022266-A1 | Process for the production of secondary alkoxy-1-alkenes | Creanova Inc. (US) | 2000-07-26 | — | — | EP | disclosed |