⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29396896 | 0.92 | CA1 (0.32) | — | |
| SCHEMBL3671745 | 0.92 | CA1 (0.32) | — | |
| Benzene SCHEMBL29853972 | 0.88 | CA1 (0.30) | — | |
| SCHEMBL28070748 | 0.86 | KDM4E (0.32) | — | |
| SCHEMBL28070837 | 0.83 | NPSR1 (0.34) | — | |
| SCHEMBL4858235 | 0.79 | CA1 (0.34) | — | |
| SCHEMBL7626884 | 0.78 | — | — | |
| SCHEMBL7629663 | 0.78 | — | — | |
| SCHEMBL7627034 | 0.78 | — | — | |
| SCHEMBL28318738 | 0.78 | CYP3A4 (0.39) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-103857706-B | Kinetic Modulation of Metallocene Catalysts | 埃克森美孚化学专利公司 | 2016-09-28 | — | — | CN | claimed |
| CN-106397636-A | Dynamic modulation of metallocene catalysts | 埃克森美孚化学专利公司 | 2017-02-15 | — | — | CN | disclosed |
| CN-103857706-B | Kinetic Modulation of Metallocene Catalysts | 埃克森美孚化学专利公司 | 2016-09-28 | — | — | CN | disclosed |