⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7160944 | 0.89 | — | — | |
| SCHEMBL2508943 | 0.88 | RARB (0.34) | — | |
| SCHEMBL2518343 | 0.88 | — | — | |
| SCHEMBL139314 | 0.88 | BCHE (0.31) | — | |
| SCHEMBL2511496 | 0.87 | RARB (0.31) | — | |
| SCHEMBL2512467 | 0.87 | EDNRB (0.30) | — | |
| SCHEMBL2518453 | 0.85 | RARB (0.36) | — | |
| SCHEMBL2511689 | 0.85 | RARB (0.36) | — | |
| SCHEMBL5951382 | 0.85 | DRD2 (0.32) | — | |
| SCHEMBL2512267 | 0.85 | UCHL3 (0.30) | — |
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 |