⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7538003 | 0.90 | — | — | |
| Ethylene SCHEMBL3669698 | 0.90 | — | — | |
| SCHEMBL2474821 | 0.89 | — | — | |
| SCHEMBL6432168 | 0.70 | — | — | |
| SCHEMBL813889 | 0.70 | — | — | |
| Hydrochloric Acid SCHEMBL6432319 | 0.69 | — | — | |
| SCHEMBL8104299 | 0.69 | CYP2D6 (0.30) | — | |
| SCHEMBL11115703 | 0.66 | — | — | |
| Ethylene SCHEMBL9248318 | 0.66 | — | — | |
| Ethylene SCHEMBL9078993 | 0.66 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-1996013531-A1 | PREPARATION OF MODIFIED POLYOLEFIN CATALYSTS AND IN SITU PREPARATION OF SUPPORTED METALLOCENE AND ZIEGLER-NATTA/METALLOCENE POLYOLEFIN CATALYSTS | W.R. GRACE & CO.-CONN. (US) | 1996-05-09 | — | — | WO | disclosed |