⚠ 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 SCHEMBL2233538 | 0.99 | — | — | |
| SCHEMBL2232647 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL2233386 | 0.78 | — | — | |
| Fluoride SCHEMBL2232611 | 0.78 | — | — | |
| SCHEMBL2234614 | 0.78 | — | — | |
| Methyl Alcohol SCHEMBL5080252 | 0.77 | — | — | |
| Hydrochloric Acid SCHEMBL2233147 | 0.76 | — | — | |
| SCHEMBL2236738 | 0.67 | — | — | |
| Hydrochloric Acid SCHEMBL2231812 | 0.66 | — | — | |
| SCHEMBL2235385 | 0.65 | — | — |
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 3 patents. 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 |
| EP-1709085-A2 | SUPPORTED ACTIVATOR | ExxonMobil Chemical Patents, Inc., A Corporation of the State of Delaware (US) | 2006-10-11 | — | — | EP | disclosed |
| WO-2005068515-A2 | SUPPORTED ACTIVATOR FOR POLYMERISATION | EXXONMOBIL CHEMICAL PATENTS, INC. (US) | 2005-07-28 | — | — | WO | disclosed |