⚠ 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 | 0.97 | — | — | |
| Methyl Alcohol SCHEMBL4456383 | 0.95 | NPC1 (0.32) | — | |
| Hydrochloric Acid SCHEMBL5611961 | 0.80 | — | — | |
| SCHEMBL2233342 | 0.75 | — | — | |
| Hydrochloric Acid SCHEMBL18586048 | 0.71 | — | — | |
| SCHEMBL8619097 | 0.68 | NOS2 (0.31) | — | |
| SCHEMBL28635811 | 0.68 | NOS2 (0.31) | — | |
| Fluoride SCHEMBL19518049 | 0.68 | — | — | |
| Hydrochloric Acid SCHEMBL28639266 | 0.67 | TYMP (0.30) | — | |
| Hydrochloric Acid SCHEMBL28639269 | 0.67 | NOS2 (0.30) | — |
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 8 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1799726-A1 | TRIALKYLALUMINUM TREATED SUPPORTS | Exxonmobil Chemical Patents Inc. (US) | 2007-06-27 | — | — | EP | claimed |
| WO-2006044058-A1 | TRIALKYLALUMINUM TREATED SUPPORTS | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2006-04-27 | — | — | WO | claimed |
| EP-3344385-A1 | ALUMINUM ALKYLS WITH PENDANT OLEFINS ON CLAYS | ExxonMobil Chemical Patents Inc. (US) | 2018-07-11 | — | — | EP | disclosed |
| WO-2017039994-A1 | ALUMINUM ALKYLS WITH PENDANT OLEFINS ON CLAYS | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2017-03-09 | — | — | WO | disclosed |
| EP-1799726-A1 | TRIALKYLALUMINUM TREATED SUPPORTS | Exxonmobil Chemical Patents Inc. (US) | 2007-06-27 | — | — | EP | disclosed |
| EP-1709085-A2 | SUPPORTED ACTIVATOR | ExxonMobil Chemical Patents, Inc., A Corporation of the State of Delaware (US) | 2006-10-11 | — | — | EP | disclosed |
| WO-2006044058-A1 | TRIALKYLALUMINUM TREATED SUPPORTS | EXXONMOBIL CHEMICAL PATENTS INC. (US) | 2006-04-27 | — | — | WO | disclosed |
| WO-2005068515-A2 | SUPPORTED ACTIVATOR FOR POLYMERISATION | EXXONMOBIL CHEMICAL PATENTS, INC. (US) | 2005-07-28 | — | — | WO | disclosed |