⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18188533 | 0.67 | TSHR (0.32) | — | |
| SCHEMBL1931674 | 0.65 | TSHR (0.33) | — | |
| SCHEMBL498964 | 0.65 | TSHR (0.33) | — | |
| SCHEMBL4557315 | 0.63 | — | — | |
| SCHEMBL6570628 | 0.62 | TSHR (0.31) | — | |
| SCHEMBL27140 | 0.62 | — | — | |
| SCHEMBL721744 | 0.62 | TSHR (0.31) | — | |
| SCHEMBL4257968 | 0.62 | TSHR (0.31) | — | |
| SCHEMBL4557314 | 0.60 | — | — | |
| SCHEMBL370393 | 0.59 | — | — |
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-6417302-B1 | REACTION PRODUCT OF DI(PENTAFLUOROPHENYL) BORINIC ACID AND ORGANOALUMINUM COMPOUND; OLEFIN POLYMERIZATION COORDINATION CATALYSTS | BASELL POLYOLEFINE GMBH (DE) | 2002-07-09 | — | — | US | disclosed |
| EP-1003753-A1 | COMPOUNDS CONTAINING BORON AND ALUMINIUM | Basell Polyolefine GmbH (DE) | 2000-05-31 | — | — | EP | disclosed |
| WO-1999006414-A1 | COMPOUNDS CONTAINING BORON AND ALUMINIUM | TARGOR GMBH (DE) | 1999-02-11 | — | — | WO | disclosed |