⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7173975 | 0.89 | — | — | |
| SCHEMBL7160944 | 0.86 | — | — | |
| SCHEMBL138390 | 0.85 | — | — | |
| SCHEMBL7185503 | 0.84 | ACHE (0.32) | — | |
| SCHEMBL5948647 | 0.83 | EDNRB (0.33) | — | |
| SCHEMBL7161636 | 0.82 | — | — | |
| Toluene SCHEMBL27836032 | 0.81 | — | — | |
| SCHEMBL7172970 | 0.81 | — | — | |
| SCHEMBL1583444 | 0.81 | — | — | |
| SCHEMBL1582620 | 0.81 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1066303-B1 | TRANSITION METAL COMPOUND CONTAINING CATIONIC GROUPS WHICH IS USED AS AN OLEFIN POLYMERIZATION CATALYST COMPONENT | BASELL POLYOLEFINE GMBH (DE) | 2003-09-10 | — | — | EP | claimed |