⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL797578 | 0.78 | BCHE (0.32) | — | |
| SCHEMBL7598607 | 0.73 | PPARG (0.31) | — | |
| SCHEMBL1453876 | 0.73 | CYP11B1 (0.31) | — | |
| Fluoride Ion SCHEMBL27933059 | 0.72 | CYP11B1 (0.32) | — | |
| Iodide SCHEMBL27464625 | 0.72 | CYP11B1 (0.32) | — | |
| Bromide SCHEMBL27948604 | 0.72 | HTR2A (0.35) | — | |
| Hydrochloric Acid SCHEMBL27484580 | 0.72 | CYP11B1 (0.35) | — | |
| SCHEMBL6344924 | 0.70 | DRD2 (0.38) | — | |
| SCHEMBL27372929 | 0.70 | CYP11B1 (0.33) | — | |
| SCHEMBL5859366 | 0.70 | CYP11B1 (0.33) | — |
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-6410665-B1 | POLYMERIZATION COORDINATION CATALYST FOR ALPHA-OLEFIN | BASELL POLYOLEFINE GMBH (DE) | 2002-06-25 | — | — | US | claimed |
| US-6410665-B1 | POLYMERIZATION COORDINATION CATALYST FOR ALPHA-OLEFIN | BASELL POLYOLEFINE GMBH (DE) | 2002-06-25 | — | — | US | disclosed |