⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3889373 | 0.86 | — | — | |
| SCHEMBL4082627 | 0.82 | — | — | |
| SCHEMBL3482911 | 0.82 | — | — | |
| SCHEMBL4073829 | 0.80 | ALDH1A1 (0.30) | — | |
| SCHEMBL926694 | 0.80 | TDP1 (0.30) | — | |
| SCHEMBL3481689 | 0.78 | LPAR3 (0.35) | — | |
| SCHEMBL81525 | 0.77 | TSHR (0.30) | — | |
| SCHEMBL29377080 | 0.75 | — | — | |
| SCHEMBL2471457 | 0.73 | — | — | |
| SCHEMBL4265413 | 0.71 | ADRB2 (0.35) | — |
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-6867323-B2 | Cross-coupling reaction of organosilicon nucleophiles | THE BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) | 2005-03-15 | — | — | US | disclosed |
| US-20020183516-A1 | Cross-coupling reaction of organosilicon nucleophiles | UNIVERSITY OF ILLINOIS URBANA-CHAMPAIGN | 2002-12-05 | — | — | US | disclosed |
| WO-2001094355-A1 | CROSS-COUPLING REACTION OF ORGANOSILICON NUCLEOPHILES | BOARD OF TRUSTEES OF THE UNIVERSITY OF ILLINOIS (US) | 2001-12-13 | — | — | WO | disclosed |