⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL756149 | 0.80 | — | — | |
| SCHEMBL9132626 | 0.76 | — | — | |
| SCHEMBL9224396 | 0.76 | — | — | |
| SCHEMBL11253831 | 0.76 | — | — | |
| SCHEMBL1314466 | 0.76 | — | — | |
| SCHEMBL10604193 | 0.76 | — | — | |
| SCHEMBL245746 | 0.74 | — | — | |
| SCHEMBL11645535 | 0.74 | — | — | |
| SCHEMBL9538317 | 0.73 | — | — | |
| SCHEMBL12265117 | 0.73 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114247476-A | Zirconium-based catalytic system and method for preparing linear alpha-olefin by catalyzing ethylene oligomerization through zirconium-based catalytic system | 北京化工大学 | 2022-03-29 | — | — | CN | claimed |
| CN-114247476-A | Zirconium-based catalytic system and method for preparing linear alpha-olefin by catalyzing ethylene oligomerization through zirconium-based catalytic system | 北京化工大学 | 2022-03-29 | — | — | CN | disclosed |
| WO-2015123756-A1 | HYDROLYSIS RESISTANT SIALIC ACID DERIVATIVES AND METHODS FOR THEIR USE | THE UNIVERSITY OF BRITISH COLUMBIA (CA) | 2015-08-27 | — | — | WO | disclosed |
| WO-2012002096-A1 | 6-ACYL-1,2,4-TRIAZINE-3,5-DIONE DERIVATIVE AND HERBICIDES | KUMIAI CHEMICAL INDUSTRY CO., LTD. (JP) | 2012-01-05 | — | — | WO | disclosed |