⚠ 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 | |
|---|---|---|---|---|
| Fluoride SCHEMBL27816519 | 1.00 | — | — | |
| SCHEMBL2363900 | 0.97 | — | — | |
| Hydrochloric Acid SCHEMBL22616767 | 0.94 | — | — | |
| Bromide SCHEMBL27548533 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL27278467 | 0.94 | — | — | |
| Hydrochloric Acid SCHEMBL7053990 | 0.94 | — | — | |
| SCHEMBL27275555 | 0.94 | — | — | |
| Bromide SCHEMBL28570338 | 0.92 | — | — | |
| Dimethylamine SCHEMBL6907011 | 0.90 | — | — | |
| Methylene Chloride SCHEMBL16321050 | 0.87 | — | — |
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-107921424-A | ALUMINUM ALKYLS WITH PENDANT OLEFINS ON CLAYS | 埃克森美孚化学专利公司 | 2018-04-17 | — | — | CN | disclosed |