⚠ 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 SCHEMBL5611963 | 0.75 | — | — | |
| Fluoride SCHEMBL5611286 | 0.75 | — | — | |
| Methyl Alcohol SCHEMBL4456383 | 0.74 | NPC1 (0.32) | — | |
| Bromide SCHEMBL2236606 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL2232796 | 0.69 | — | — | |
| Fluoride Ion SCHEMBL2233824 | 0.69 | — | — | |
| SCHEMBL2236829 | 0.68 | NOS2 (0.30) | — | |
| Hydrochloric Acid SCHEMBL2235715 | 0.67 | — | — | |
| Fluoride Ion SCHEMBL2234652 | 0.67 | — | — | |
| SCHEMBL9276218 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1799726-B1 | TRIALKYLALUMINUM TREATED SUPPORTS | EXXONMOBIL CHEM PATENTS INC (US) | 2011-07-13 | — | — | EP | claimed |