⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2967234 | 0.76 | — | — | |
| SCHEMBL2974182 | 0.69 | — | — | |
| SCHEMBL7461588 | 0.69 | MAPT (0.32) | — | |
| SCHEMBL24169930 | 0.68 | — | — | |
| SCHEMBL2971029 | 0.66 | — | — | |
| SCHEMBL7453975 | 0.64 | — | — | |
| SCHEMBL2972319 | 0.62 | NLRP3 (0.34) | — | |
| SCHEMBL20635061 | 0.62 | — | — | |
| SCHEMBL5029938 | 0.62 | CES1 (0.44) | — | |
| SCHEMBL24922429 | 0.60 | NLRP3 (0.32) | — |
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 |