⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL110593 | 0.72 | — | — | |
| SCHEMBL428851 | 0.72 | — | — | |
| SCHEMBL22534493 | 0.72 | — | — | |
| SCHEMBL22534496 | 0.71 | — | — | |
| SCHEMBL11054532 | 0.68 | — | — | |
| SCHEMBL1069448 | 0.68 | — | — | |
| SCHEMBL3865073 | 0.68 | — | — | |
| SCHEMBL587004 | 0.68 | — | — | |
| SCHEMBL8330330 | 0.67 | — | — | |
| SCHEMBL664680 | 0.67 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2001051526-A1 | PROCATALYSTS COMPRISING BIDENTATE LIGANDS, CATALYST SYSTEMS, AND USE IN OLEFIN POLYMERIZATION | EASTMAN CHEMICAL COMPANY (US) | 2001-07-19 | — | — | WO | disclosed |
| WO-2001051528-A1 | PROCATALYSTS COMPRISING BIDENTATE LIGANDS, CATALYST SYSTEMS, AND USE IN OLEFIN POLYMERIZATION | EASTMAN CHEMICAL COMPANY (US) | 2001-07-19 | — | — | WO | disclosed |