⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23264960 | 0.92 | — | — | |
| SCHEMBL2660158 | 0.92 | — | — | |
| SCHEMBL22661254 | 0.92 | — | — | |
| SCHEMBL23005879 | 0.92 | — | — | |
| SCHEMBL429456 | 0.92 | — | — | |
| Hydrochloric Acid SCHEMBL7994392 | 0.89 | — | — | |
| Ethylene SCHEMBL8982169 | 0.86 | MAPT (0.31) | — | |
| SCHEMBL10694785 | 0.81 | — | — | |
| SCHEMBL8848663 | 0.80 | HPGD (0.40) | — | |
| SCHEMBL3315950 | 0.78 | POLB (0.34) | — |
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-101056895-B | Solid titanium catalyst component, catalyst for olefin polymerization, and method for producing olefin polymer | MITSUI CHEMICALS, INC. (JP) | 2016-03-02 | — | — | CN | disclosed |