⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7949383 | 0.87 | — | — | |
| SCHEMBL6903006 | 0.79 | APAF1 (0.36) | — | |
| SCHEMBL7937954 | 0.69 | — | — | |
| SCHEMBL21436051 | 0.69 | — | — | |
| SCHEMBL29922045 | 0.69 | — | — | |
| SCHEMBL7745069 | 0.68 | CDC25B (0.32) | — | |
| SCHEMBL7737208 | 0.68 | MEN1 (0.32) | — | |
| SCHEMBL6910553 | 0.66 | APAF1 (0.33) | — | |
| SCHEMBL6904356 | 0.65 | MAPT (0.35) | — | |
| SCHEMBL1089540 | 0.64 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0923589-B1 | 3-HETEROATOM SUBSTITUTED CYCLOPENTADIENYL-CONTAINING METAL COMPLEXES AND OLEFIN POLYMERIZATION PROCESS | DOW GLOBAL TECHNOLOGIES INC (US) | 2004-09-15 | — | — | EP | disclosed |
| US-6268444-B1 | TITANIUM, ZIRCONIUM OR HAFNIUM COMPOUNDS FOR POLYMERIZATION | DOW CHEMICAL COMPANY | 2001-07-31 | — | — | US | disclosed |