⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6927084 | 0.79 | ESR1 (0.32) | — | |
| SCHEMBL6923168 | 0.70 | — | — | |
| SCHEMBL7651151 | 0.70 | ESR1 (0.30) | — | |
| SCHEMBL6285712 | 0.70 | CFTR (0.33) | — | |
| SCHEMBL6923698 | 0.69 | — | — | |
| SCHEMBL6927008 | 0.68 | — | — | |
| SCHEMBL6927672 | 0.68 | — | — | |
| SCHEMBL6290535 | 0.67 | CYP1A2 (0.33) | — | |
| SCHEMBL7526333 | 0.63 | — | — | |
| Hydrochloric Acid SCHEMBL7640016 | 0.63 | ESR1 (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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-6518378-B2 | Using an unbridged cyclopentadienyl metallocene catalyst capable of interconverting between states with different copolymerization characteristics | THE BOARD OF TRUSTEES OF THE LELAND STANFORD JUNIOR UNIVERSITY | 2003-02-11 | — | — | US | disclosed |
| US-20010049425-A1 | High-melting polyolefin copolymer elastomers, catalysts and methods of synthesis | BP CORPORATION NORTH AMERICA INC. | 2001-12-06 | — | — | US | disclosed |
| US-20010034426-A1 | High-melting polyolefin copolymer elastomers, catalysts and methods of synthesis | BP CORPORATION NORTH AMERICA INC. | 2001-10-25 | — | — | US | disclosed |