⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2839859 | 0.81 | — | — | |
| SCHEMBL2839857 | 0.81 | — | — | |
| SCHEMBL18256237 | 0.69 | — | — | |
| SCHEMBL11800030 | 0.69 | — | — | |
| SCHEMBL1885433 | 0.67 | — | — | |
| SCHEMBL1360009 | 0.65 | — | — | |
| SCHEMBL22104 | 0.65 | — | — | |
| Hydrogen Sulfide SCHEMBL6714329 | 0.62 | — | — | |
| SCHEMBL3798098 | 0.62 | — | — | |
| SCHEMBL10457098 | 0.61 | — | — |
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-6583307-B2 | Catalytic cross-coupling of aryl halides with arylboronic acids using a combination of Pd(OAc)2 (Palladium acetate) and diazabutadiene as the catalytic system | UNIVERSITY OF NEW ORLEANS RESEARCH AND TECHNOLOGY FOUNDATION, INC. | 2003-06-24 | — | — | US | disclosed |
| US-20020198423-A1 | Convenient and efficient suzuki-miyaura cross-coupling catalyzed by a palladium/diazabutadiene system | NEW ORLEANS RESEARCH AND TECHNOLOGY FOUNDATION, INC., UNIVERSITY OF, A NON-PROFIT CORP. OF LOUISIANA | 2002-12-26 | — | — | US | disclosed |
| WO-2002072511-A1 | 'CONVENIENT AND EFFICIENT SUZUKI-MIYAURA CROSS-COUPLING CATALYZED BY A PALLADIUM/DIAZABUTADIENE SYSTEM' | UNIVERSITY OF NEW ORLEANS RESEARCH AND TECHNOLOGY FOUNDATION, INC. (US) | 2002-09-19 | — | — | WO | disclosed |