⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17287843 | 1.00 | — | — | |
| SCHEMBL17287569 | 0.91 | — | — | |
| SCHEMBL28031369 | 0.89 | — | — | |
| SCHEMBL17287527 | 0.89 | — | — | |
| SCHEMBL28030754 | 0.89 | — | — | |
| SCHEMBL28031370 | 0.87 | — | — | |
| SCHEMBL17287431 | 0.87 | — | — | |
| Hydrochloric Acid SCHEMBL28215535 | 0.86 | — | — | |
| SCHEMBL28216075 | 0.80 | — | — | |
| SCHEMBL17287766 | 0.75 | — | — |
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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-105008378-A | Reaction catalyst for cross coupling and method for manufacturing aromatic compound | HOKKO CHEM IND CO | 2015-10-28 | — | — | CN | disclosed |