⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7061170 | 0.94 | — | — | |
| SCHEMBL8085635 | 0.76 | — | — | |
| SCHEMBL5604220 | 0.73 | NPC1 (0.31) | — | |
| Hydrochloric Acid SCHEMBL6679194 | 0.69 | — | — | |
| Hydrochloric Acid SCHEMBL6758052 | 0.68 | — | — | |
| SCHEMBL2900251 | 0.67 | — | — | |
| Butane SCHEMBL7117385 | 0.67 | — | — | |
| Iodide SCHEMBL7059860 | 0.65 | — | — | |
| Hydrochloric Acid SCHEMBL7061167 | 0.65 | — | — | |
| SCHEMBL4473813 | 0.61 | — | — |
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-1042376-B1 | ETHYLENE POLYMERIZATION PROCESS IN A LIQUID REACTION MEDIUM | EXXONMOBIL CHEM PATENTS INC (US) | 2003-05-21 | — | — | EP | disclosed |
| EP-1042376-A1 | ETHYLENE POLYMERIZATION PROCESS IN A LIQUID REACTION MEDIUM | EXXON CHEMICAL PATENTS INC. (US) | 2000-10-11 | — | — | EP | disclosed |
| WO-1999032530-A1 | ETHYLENE POLYMERIZATION PROCESS IN A LIQUID REACTION MEDIUM | EXXON CHEMICAL PATENTS INC. (US) | 1999-07-01 | — | — | WO | disclosed |