⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2319453 | 0.82 | — | — | |
| Hydrochloric Acid SCHEMBL218417 | 0.82 | — | — | |
| SCHEMBL2320316 | 0.67 | — | — | |
| SCHEMBL6440676 | 0.66 | — | — | |
| SCHEMBL2321135 | 0.64 | — | — | |
| SCHEMBL4751861 | 0.62 | HDAC4 (0.33) | — | |
| Hydrochloric Acid SCHEMBL217576 | 0.59 | — | — | |
| SCHEMBL8673577 | 0.59 | — | — | |
| SCHEMBL13012717 | 0.56 | ATM (0.40) | — | |
| SCHEMBL14390498 | 0.54 | — | — |
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-1753796-B1 | MULTIPLE CATALYST AND REACTOR SYSTEM FOR OLEFIN POLYMERIZATION AND POLYMERS PRODUCED THEREFROM | EXXONMOBIL CHEM PATENTS INC (US) | 2011-08-10 | — | — | EP | disclosed |