⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5575748 | 0.77 | ANPEP (0.65) | — | |
| SCHEMBL131828 | 0.75 | — | — | |
| SCHEMBL7109279 | 0.74 | ANPEP (0.53) | — | |
| SCHEMBL8160443 | 0.72 | ANPEP (0.58) | — | |
| SCHEMBL15788663 | 0.69 | — | — | |
| Butane SCHEMBL28597553 | 0.67 | TSHR (0.44) | — | |
| SCHEMBL14832667 | 0.65 | — | — | |
| SCHEMBL7529049 | 0.64 | ANPEP (0.33) | — | |
| SCHEMBL876217 | 0.64 | — | — | |
| SCHEMBL49096 | 0.64 | ANPEP (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 5 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2007118474-A2 | METHOD FOR THE PRODUCTION OF HYDROGEN-RICH SILANES, AND NOVEL CHEMICAL COMPOUNDS | TECHNISCHE UNIVERSITÄT BERGAKADEMIE FREIBERG (DE) | 2007-10-25 | — | — | WO | claimed |
| WO-2007118474-A2 | METHOD FOR THE PRODUCTION OF HYDROGEN-RICH SILANES, AND NOVEL CHEMICAL COMPOUNDS | TECHNISCHE UNIVERSITÄT BERGAKADEMIE FREIBERG (DE) | 2007-10-25 | — | — | WO | disclosed |
| 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 |