⚠ 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 SCHEMBL28891930 | 0.98 | ALDH1A1 (0.31) | — | |
| SCHEMBL1507319 | 0.82 | OXTR (0.31) | — | |
| SCHEMBL28892015 | 0.76 | KDM4E (0.31) | — | |
| SCHEMBL28444175 | 0.73 | LMNA (0.31) | — | |
| SCHEMBL28421963 | 0.72 | TAAR1 (0.38) | — | |
| SCHEMBL7997573 | 0.71 | OPRM1 (0.33) | — | |
| Iodide SCHEMBL29003680 | 0.71 | TAAR1 (0.37) | — | |
| SCHEMBL5090884 | 0.67 | OXTR (0.33) | — | |
| Hydrochloric Acid SCHEMBL16458828 | 0.67 | — | — | |
| SCHEMBL574073 | 0.66 | KIF11 (0.35) | — |
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-111406078-B | Catalyst for preparing polyethylene with broad bimodal molecular weight distribution | 埃克森美孚化学专利公司 | 2023-03-10 | — | — | CN | disclosed |
| 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 |