⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL273550 | 0.94 | NPC1 (0.31) | — | |
| SCHEMBL2513908 | 0.88 | NPC1 (0.34) | — | |
| SCHEMBL137885 | 0.88 | ENPP3 (0.32) | — | |
| SCHEMBL5342512 | 0.88 | — | — | |
| SCHEMBL5890104 | 0.87 | NPC1 (0.33) | — | |
| SCHEMBL1024768 | 0.87 | — | — | |
| SCHEMBL1026090 | 0.85 | — | — | |
| SCHEMBL27854154 | 0.85 | NPC1 (0.32) | — | |
| SCHEMBL5276116 | 0.85 | — | — | |
| SCHEMBL1025230 | 0.85 | — | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| 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 |
| EP-1392710-A1 | 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) | 2004-03-03 | — | — | EP | disclosed |
| WO-2002096920-A1 | 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) | 2002-12-05 | — | — | WO | disclosed |