⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7605578 | 1.00 | — | — | |
| SCHEMBL10399898 | 0.84 | — | — | |
| SCHEMBL2422207 | 0.84 | — | — | |
| SCHEMBL869952 | 0.84 | — | — | |
| SCHEMBL13345645 | 0.84 | — | — | |
| SCHEMBL10399897 | 0.84 | — | — | |
| SCHEMBL7618505 | 0.82 | — | — | |
| SCHEMBL23430326 | 0.82 | — | — | |
| SCHEMBL1324404 | 0.82 | ALDH1A1 (0.40) | — | |
| SCHEMBL9947105 | 0.82 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-6495485-B2 | USEFUL FOR POLYMERIZING OLEFINS | EQUISTAR CHEMICALS, LP | 2002-12-17 | — | — | US | disclosed |
| US-20020115561-A1 | Single-site catalysts based on caged diimide ligands | EQUISTAR CHEMICALS, L.P. | 2002-08-22 | — | — | US | disclosed |
| US-6414099-B1 | CATALYST SYSTEM USEFUL FOR POLYMERIZING OLEFINS WHICH COMPRISES ORGANOMETALLIC COMPLEX INCLUDING GROUP 3 TO 10 TRANSITION, LANTHANIDE OR ACTINIDE METAL AND CAGED DIIMIDE LIGAND, AND OPTIONAL ACTIVATOR | EQUISTAR CHEMICALS, LP | 2002-07-02 | — | — | US | disclosed |