⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL20996281 | 0.98 | — | — | |
| SCHEMBL28440213 | 0.84 | — | — | |
| Hydrochloric Acid SCHEMBL20996263 | 0.83 | — | — | |
| SCHEMBL28450287 | 0.82 | — | — | |
| SCHEMBL30084535 | 0.78 | — | — | |
| SCHEMBL28446496 | 0.78 | — | — | |
| SCHEMBL20996202 | 0.75 | — | — | |
| SCHEMBL21034912 | 0.75 | — | — | |
| SCHEMBL28891977 | 0.72 | — | — | |
| SCHEMBL28423833 | 0.69 | MAOA (0.32) | — |
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-111417657-B | Asymmetric ansa-metallocene catalyst compounds for the preparation of polyolefins having broad molecular weight distribution | 埃克森美孚化学专利公司 | 2022-11-25 | — | — | CN | disclosed |
| CN-111417657-A | Asymmetric ansa-metallocene catalyst compounds for the preparation of polyolefins having broad molecular weight distribution | 埃克森美孚化学专利公司 | 2020-07-14 | — | — | CN | disclosed |