⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7189242 | 0.93 | — | — | |
| SCHEMBL7191698 | 0.91 | GCGR (0.30) | — | |
| SCHEMBL7179888 | 0.90 | — | — | |
| SCHEMBL7187133 | 0.90 | — | — | |
| SCHEMBL7194278 | 0.89 | EDNRB (0.32) | — | |
| SCHEMBL7182833 | 0.87 | RARB (0.34) | — | |
| SCHEMBL7182756 | 0.87 | BRD4 (0.31) | — | |
| SCHEMBL7189569 | 0.85 | RARB (0.36) | — | |
| SCHEMBL7186431 | 0.85 | — | — | |
| SCHEMBL7182589 | 0.85 | RARB (0.32) | — |
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-1054911-B1 | CATALYST SYSTEM, METHOD FOR THE PRODUCTION THEREOF AND ITS USE FOR THE POLYMERIZATION OF OLEFINS | BASELL POLYOLEFINE GMBH (DE) | 2003-01-22 | — | — | EP | claimed |