⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7053148 | 0.70 | — | — | |
| SCHEMBL1928094 | 0.67 | — | — | |
| SCHEMBL1135080 | 0.65 | — | — | |
| Hydrochloric Acid SCHEMBL12814735 | 0.65 | — | — | |
| Fluoride Ion SCHEMBL1131045 | 0.64 | — | — | |
| Hydrochloric Acid SCHEMBL7797284 | 0.64 | — | — | |
| Hydrochloric Acid SCHEMBL8674181 | 0.64 | — | — | |
| Hydrochloric Acid SCHEMBL3647409 | 0.64 | — | — | |
| Hydrochloric Acid SCHEMBL2044937 | 0.64 | — | — | |
| Hydrochloric Acid SCHEMBL7797282 | 0.64 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-108779135-B | Metallocene compound, catalyst component and catalyst for olefin polymerization comprising the same, and process for producing olefin polymer using the same | 日本聚乙烯株式会社 | 2021-09-07 | — | — | CN | disclosed |
| EP-0617044-B1 | Process for preparing cyclopentadienyl group-containing silicon compound or cyclopentadienyl group-containing germanium compound | MITSUI CHEMICALS INC (JP) | 1999-01-20 | — | — | EP | disclosed |