⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7458278 | 0.78 | CYP2C19 (0.36) | — | |
| SCHEMBL2046871 | 0.77 | RAPGEF4 (0.32) | — | |
| SCHEMBL29773511 | 0.77 | RAPGEF4 (0.32) | — | |
| Lithium SCHEMBL29650729 | 0.75 | RAPGEF4 (0.31) | — | |
| SCHEMBL22228249 | 0.75 | RAPGEF4 (0.31) | — | |
| SCHEMBL7465941 | 0.73 | PNMT (0.35) | — | |
| SCHEMBL2965293 | 0.73 | — | — | |
| Hydrochloric Acid SCHEMBL28063714 | 0.73 | RAPGEF4 (0.30) | — | |
| SCHEMBL28314871 | 0.71 | BRD9 (0.34) | — | |
| SCHEMBL28063713 | 0.71 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6369254-B1 | COORDINATION CATALYST FOR POLYMERIZATION CATALYSTS | BASELL TECHNOLOGY COMPANY BV (NL) | 2002-04-09 | — | — | US | disclosed |
| EP-0846122-B1 | BRIDGED METALLOCENE COMPOUNDS, PROCESSES FOR THE PREPARATION THEREOF, AND USE THEREOF IN CATALYSTS FOR THE POLYMERIZATION OF OLEFINS | MONTELL TECHNOLOGY COMPANY BV (NL) | 2000-07-05 | — | — | EP | disclosed |