⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL6720333 | 0.76 | — | — | |
| SCHEMBL10119789 | 0.76 | — | — | |
| SCHEMBL10110535 | 0.76 | — | — | |
| SCHEMBL14749818 | 0.76 | — | — | |
| SCHEMBL19860152 | 0.76 | — | — | |
| SCHEMBL4885925 | 0.76 | — | — | |
| SCHEMBL27500708 | 0.72 | — | — | |
| SCHEMBL25965531 | 0.72 | — | — | |
| SCHEMBL18312546 | 0.72 | — | — | |
| SCHEMBL25639851 | 0.72 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20140378668-A1 | Tyrosine Bioconjugation through Aqueous Ene-Like Reactions | SCRIPPS RESEARCH INST (US) | 2014-12-25 | — | — | US | disclosed |