⚠ 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 SCHEMBL2232425 | 0.99 | — | — | |
| SCHEMBL7175947 | 0.83 | — | — | |
| SCHEMBL2235583 | 0.69 | — | — | |
| SCHEMBL975688 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL2235719 | 0.68 | — | — | |
| Bromide SCHEMBL21410494 | 0.68 | — | — | |
| Hydrochloric Acid SCHEMBL3680085 | 0.68 | — | — | |
| Fluoride Ion SCHEMBL1130589 | 0.68 | — | — | |
| Fluoride SCHEMBL1130590 | 0.68 | — | — | |
| SCHEMBL6902027 | 0.68 | — | — |
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 |