⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL834 | 0.96 | — | — | |
| Ammonia Solution, Strong SCHEMBL10701634 | 0.92 | — | — | |
| SCHEMBL28253452 | 0.92 | — | — | |
| SCHEMBL27602790 | 0.92 | — | — | |
| SCHEMBL25310117 | 0.92 | — | — | |
| SCHEMBL27613801 | 0.92 | — | — | |
| Water SCHEMBL28189155 | 0.92 | — | — | |
| Methylamine SCHEMBL27959912 | 0.85 | GRIN2D (0.30) | — | |
| Zinc Chloride SCHEMBL25393350 | 0.82 | — | — | |
| SCHEMBL27749568 | 0.82 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20230235100-A1 | CYCLOPENTADIENYL/ADAMANTYL PHOSPHINIMINE ZIRCONIUM AND HAFNIUM COMPLEXES | NOVA CHEMICALS (INTERNATIONAL) S.A. (CH) | 2023-07-27 | — | — | US | disclosed |
| EP-4139320-A1 | CYCLOPENTADIENYL/ADAMANTYL PHOSPHINIMINE ZIRCONIUM AND HAFNIUM COMPLEXES | Nova Chemicals (International) S.A. (CH) | 2023-03-01 | — | — | EP | disclosed |
| WO-2021214612-A1 | CYCLOPENTADIENYL/ADAMANTYL PHOSPHINIMINE ZIRCONIUM AND HAFNIUM COMPLEXES | NOVA CHEMICALS (INTERNATIONAL) S.A. (CH) | 2021-10-28 | — | — | WO | disclosed |