⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9329840 | 0.79 | CA4 (0.39) | — | |
| SCHEMBL8668815 | 0.73 | — | — | |
| SCHEMBL4825183 | 0.73 | — | — | |
| SCHEMBL5162225 | 0.71 | ALDH1A1 (0.35) | — | |
| SCHEMBL38901 | 0.69 | ALDH1A1 (0.40) | — | |
| SCHEMBL1778033 | 0.69 | ALDH1A1 (0.40) | — | |
| SCHEMBL28331870 | 0.67 | CA4 (0.36) | — | |
| Fluoride SCHEMBL28572273 | 0.67 | ALDH1A1 (0.38) | — | |
| SCHEMBL28546150 | 0.67 | ALDH1A1 (0.38) | — | |
| SCHEMBL21838773 | 0.67 | ALDH1A1 (0.38) | — |
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-0775707-B1 | Ionic compounds and catalyst for olefin polymerisation using the compounds | SHOWA DENKO KK (JP) | 2001-11-28 | — | — | EP | disclosed |
| US-5869723-A | PRODUCING HIGHLY ACTIVE POLYMER WHICH DOES NOT ATTACH TO INNER WALL OF REACTOR | SHOWA DENKO K.K. (JP) | 1999-02-09 | — | — | US | disclosed |
| EP-0775707-A1 | IONIC COMPOUNDS AND CATALYST FOR OLEFIN POLYMERIZATION USING THE COMPOUNDS | SHOWA DENKO KABUSHIKI KAISHA (JP) | 1997-05-28 | — | — | EP | disclosed |