⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5548676 | 0.93 | CDK4 (0.31) | — | |
| SCHEMBL3425601 | 0.91 | SMN1; SMN2 (0.30) | — | |
| SCHEMBL5607347 | 0.87 | CNR1 (0.33) | — | |
| SCHEMBL5607920 | 0.86 | CNR1 (0.34) | — | |
| SCHEMBL3398271 | 0.86 | SMN1; SMN2 (0.31) | — | |
| SCHEMBL4874583 | 0.85 | CNR2 (0.36) | — | |
| SCHEMBL5548512 | 0.84 | BRD4 (0.32) | — | |
| SCHEMBL3434629 | 0.84 | NR1H4 (0.30) | — | |
| SCHEMBL3400108 | 0.83 | TSHR (0.32) | — | |
| SCHEMBL7196862 | 0.82 | SMN1; SMN2 (0.34) | — |
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-2235071-A2 | METALLOCENE COMPOUNDS, CATALYSTS COMPRISING THEM, PROCESS FOR PRODUCING AN OLEFIN POLYMER BY USE OF THE CATALYSTS, AND OLEFIN HOMO AND COPOLYMERS | Novolen Technology Holdings, C.V. (NL) | 2010-10-06 | — | — | EP | disclosed |
| WO-2009054833-A2 | METALLOCENE COMPOUNDS, CATALYSTS COMPRISING THEM, PROCESS FOR PRODUCING AN OLEFIN POLYMER BY USE OF THE CATALYSTS, AND OLEFIN HOMO AND COPOLYMERS | NOVOLEN TECHNOLOGY HOLDINGS, C.V. (NL) | 2009-04-30 | — | — | WO | disclosed |