⚠ 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 SCHEMBL8856025 | 0.98 | — | — | |
| Hydrochloric Acid SCHEMBL8166765 | 0.68 | — | — | |
| Hydrochloric Acid SCHEMBL8167101 | 0.67 | — | — | |
| SCHEMBL813727 | 0.65 | — | — | |
| Fluoride SCHEMBL1130869 | 0.63 | — | — | |
| Hydrochloric Acid SCHEMBL1539687 | 0.63 | — | — | |
| Hydrochloric Acid SCHEMBL1164005 | 0.63 | — | — | |
| Bromide SCHEMBL1539610 | 0.63 | — | — | |
| Methane SCHEMBL16321051 | 0.62 | — | — | |
| SCHEMBL9615092 | 0.60 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-0828745-A1 | CONVERSION OF DEEP INTERNAL OLEFINS INTO PRIMARY ALKYL ALUMINUM COMPOUNDS BY ISOMERIZATION-DISPLACEMENT | ALBEMARLE CORPORATION (US) | 1998-03-18 | — | — | EP | disclosed |