⚠ 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 | |
|---|---|---|---|---|
| Fluoride Ion SCHEMBL1539764 | 0.81 | CTSD (0.33) | — | |
| Iodide SCHEMBL1539646 | 0.81 | CTSD (0.33) | — | |
| Bromide SCHEMBL1539639 | 0.81 | CTSD (0.33) | — | |
| Hydrochloric Acid SCHEMBL1539601 | 0.81 | CTSD (0.33) | — | |
| SCHEMBL8774563 | 0.74 | — | — | |
| SCHEMBL8677377 | 0.67 | — | — | |
| SCHEMBL8680736 | 0.65 | — | — | |
| SCHEMBL8675790 | 0.65 | — | — | |
| SCHEMBL2230540 | 0.63 | CTSD (0.43) | — | |
| SCHEMBL4266980 | 0.59 | — | — |
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-0952994-B1 | CATALYST COMPOSITION FOR THE PRODUCTION OF OLEFIN POLYMERS | UNIVATION TECH LLC (US) | 2003-04-02 | — | — | EP | disclosed |
| US-6066703-A | Process for the production of olefin polymers | UNIVATION TECHNOLOGIES LLC. (US) | 2000-05-23 | — | — | US | disclosed |
| US-5747406-A | CYCLOALKADIENE CATALYSTS WITH TITANIUM, ZIRCONIUM OR HAFNIUM FOR POLYMERIZATION OF OLEFINS | UNION CARBIDE CHEMICALS & PLASTICS TECHNOLOGY CORPORATION (US) | 1998-05-05 | — | — | US | disclosed |