⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28613712 | 0.79 | — | — | |
| Hydrochloric Acid SCHEMBL30664889 | 0.75 | — | — | |
| SCHEMBL9867207 | 0.73 | — | — | |
| SCHEMBL6911633 | 0.73 | — | — | |
| SCHEMBL29843956 | 0.73 | — | — | |
| SCHEMBL29190482 | 0.72 | CYP3A4 (0.39) | — | |
| Acetonitrile SCHEMBL30540156 | 0.71 | — | — | |
| SCHEMBL7895545 | 0.69 | — | — | |
| SCHEMBL7707622 | 0.69 | — | — | |
| SCHEMBL30002212 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20100184977-A1 | Nickel or Iron Catalysed Carbon-Carbon Coupling Reaction of Arylenes, Alkenes and Alkines | SALTIGO GMBH (DE) | 2010-07-22 | — | — | US | disclosed |
| CN-101300209-A | Nickel-or iron-catalyzed carbon-carbon coupling of arylenes, alkenes and alkynes | SALTIGO GMBH (DE) | 2008-11-05 | — | — | CN | disclosed |