⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2879785 | 1.00 | — | — | |
| SCHEMBL2874639 | 0.90 | — | — | |
| SCHEMBL2874637 | 0.90 | — | — | |
| SCHEMBL617958 | 0.86 | — | — | |
| SCHEMBL176053 | 0.85 | — | — | |
| SCHEMBL116659 | 0.83 | — | — | |
| SCHEMBL9505609 | 0.81 | ALDH1A1 (0.40) | — | |
| SCHEMBL7914874 | 0.81 | ALDH1A1 (0.40) | — | |
| SCHEMBL9505606 | 0.81 | ALDH1A1 (0.40) | — | |
| SCHEMBL3764950 | 0.81 | ALDH1A1 (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1682471-B1 | SUBSTITUTED CYCLOALKANES, AND USE THEREOF AS CATIONIC POLYMERIZATION INITIATORS | BASF SE (DE) | 2010-01-20 | — | — | EP | disclosed |
| US-7288614-B2 | Substituted cycloalkanes, and use thereof as cationic polymerization initiators | BASF AKTIENGESELLSCHAFT (DE) | 2007-10-30 | — | — | US | disclosed |
| US-20070123677-A1 | Substituted cycloalkanes, and use thereof as cationic polymerization initiators | BASF AKTIENGESELLSCHAFT (DE) | 2007-05-31 | — | — | US | disclosed |