⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5277163 | 0.97 | — | — | |
| SCHEMBL89570 | 0.94 | — | — | |
| SCHEMBL3311452 | 0.93 | — | — | |
| SCHEMBL3621879 | 0.93 | — | — | |
| SCHEMBL5320570 | 0.92 | — | — | |
| SCHEMBL273012 | 0.91 | — | — | |
| SCHEMBL4473660 | 0.91 | — | — | |
| SCHEMBL4473823 | 0.91 | — | — | |
| SCHEMBL5583998 | 0.90 | — | — | |
| SCHEMBL273761 | 0.90 | — | — |
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-1392710-B1 | REDUCTION OF THE CONCENTRATION OF INORGANIC BY-PRODUCTS AND ORGANOMETALLIC BY-PRODUCTS IN THE PREPARATION OF METALLOCENES AND ECONOMICAL RECOVERY OF THE STARTING MATERIALS USED | BASELL POLYOLEFINE GMBH (DE) | 2007-11-28 | — | — | EP | disclosed |
| US-7223878-B2 | Reduction of concentration of inorganic by-products and organometallic by-products in the preparation of metallocenes and economical recovery of the starting materials used | BASELL POLYOLEFINE GMBH (DE) | 2007-05-29 | — | — | US | disclosed |
| US-20040176624-A1 | Reduction of concentration of inorganic by-products and organometallic by-products in the preparation of metallocenes and economical recovery of the starting materials used | EQUISTAR CHEMICALS, LP | 2004-09-09 | — | — | US | disclosed |