⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4577241 | 0.98 | — | — | |
| Hydrochloric Acid SCHEMBL1069964 | 0.98 | — | — | |
| SCHEMBL2488462 | 0.80 | — | — | |
| Bromide SCHEMBL7878792 | 0.78 | — | — | |
| SCHEMBL4872428 | 0.78 | — | — | |
| Fluoride SCHEMBL1130991 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL393957 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL28230991 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL7172962 | 0.77 | — | — | |
| Methane SCHEMBL9352861 | 0.76 | — | — |
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-1824888-B1 | MONOCYCLOPENTADIENYL COMPLEXES | BASELL POLYOLEFINE GMBH (DE) | 2017-01-18 | — | — | EP | disclosed |
| EP-1824888-A1 | MONOCYCLOPENTADIENYL COMPLEXES | Basell Polyolefine GmbH (DE) | 2007-08-29 | — | — | EP | disclosed |
| WO-2006063826-A1 | MONOCYCLOPENTADIENYL COMPLEXES | BASELL POLYOLEFINE GMBH (DE) | 2006-06-22 | — | — | WO | disclosed |