⚠ 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 | |
|---|---|---|---|---|
| Benzene SCHEMBL11786892 | 0.81 | — | — | |
| SCHEMBL179255 | 0.81 | — | — | |
| SCHEMBL4563756 | 0.78 | — | — | |
| SCHEMBL1423736 | 0.78 | — | — | |
| SCHEMBL9905529 | 0.78 | — | — | |
| Hydrogen Sulfide SCHEMBL28325947 | 0.78 | — | — | |
| SCHEMBL10238317 | 0.70 | — | — | |
| SCHEMBL18698925 | 0.67 | — | — | |
| Thiophene SCHEMBL14975800 | 0.64 | — | — | |
| Thiophene SCHEMBL168628 | 0.63 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-107033263-A | One kind prepares wide distribution polyolefin catalyst system and catalyzing and its application | 中国科学院化学研究所 | 2017-08-11 | — | — | CN | disclosed |