⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6911631 | 0.71 | — | — | |
| SCHEMBL1892590 | 0.67 | POLB (0.32) | — | |
| SCHEMBL11543961 | 0.67 | POLB (0.32) | — | |
| SCHEMBL7707621 | 0.67 | POLB (0.32) | — | |
| SCHEMBL3692353 | 0.66 | — | — | |
| SCHEMBL8381187 | 0.66 | ALDH1A1 (0.30) | — | |
| SCHEMBL3899635 | 0.65 | — | — | |
| SCHEMBL1226420 | 0.65 | POLB (0.47) | — | |
| SCHEMBL4104220 | 0.65 | — | — | |
| SCHEMBL7569651 | 0.64 | — | — |
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-20100184977-A1 | Nickel or Iron Catalysed Carbon-Carbon Coupling Reaction of Arylenes, Alkenes and Alkines | SALTIGO GMBH (DE) | 2010-07-22 | — | — | US | disclosed |
| EP-1924539-A1 | NICKEL OR IRON CATALYSED CARBON-CARBON COUPLING REACTION OF ARYLENES, ALKENES AND ALKINES | Saltigo GmbH (DE) | 2008-05-28 | — | — | EP | disclosed |
| WO-2007031511-A1 | NICKEL OR IRON CATALYSED CARBON-CARBON COUPLING REACTION OF ARYLENES, ALKENES AND ALKINES | SALTIGO GMBH (DE) | 2007-03-22 | — | — | WO | disclosed |