⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18784100 | 0.80 | — | — | |
| Hydrochloric Acid SCHEMBL1427194 | 0.70 | — | — | |
| Fluoride Ion SCHEMBL5080105 | 0.70 | — | — | |
| SCHEMBL27353631 | 0.63 | — | — | |
| SCHEMBL720869 | 0.61 | — | — | |
| SCHEMBL18784103 | 0.60 | — | — | |
| SCHEMBL4197787 | 0.59 | — | — | |
| Hydrochloric Acid SCHEMBL27945453 | 0.59 | — | — | |
| Hydrochloric Acid SCHEMBL6391664 | 0.58 | — | — | |
| SCHEMBL440904 | 0.58 | — | — |
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 |