⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7561400 | 1.00 | — | — | |
| SCHEMBL9358814 | 0.93 | EPHX1 (0.38) | — | |
| SCHEMBL27534931 | 0.93 | CYP1A2 (0.46) | — | |
| SCHEMBL9145297 | 0.91 | EPHX1 (0.41) | — | |
| SCHEMBL14976125 | 0.91 | EPHX1 (0.41) | — | |
| SCHEMBL28163701 | 0.91 | CYP1A2 (0.50) | — | |
| SCHEMBL7711923 | 0.91 | EPHX1 (0.41) | — | |
| Hydrogen Sulfide SCHEMBL9232653 | 0.91 | EPHX1 (0.36) | — | |
| SCHEMBL29365187 | 0.91 | EPHX1 (0.41) | — | |
| SCHEMBL10773636 | 0.91 | EPHX1 (0.41) | — |
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-20140378668-A1 | Tyrosine Bioconjugation through Aqueous Ene-Like Reactions | SCRIPPS RESEARCH INST (US) | 2014-12-25 | — | — | US | disclosed |
| US-20140378668-A1 | Tyrosine Bioconjugation through Aqueous Ene-Like Reactions | SCRIPPS RESEARCH INST (US) | 2014-12-25 | — | — | US | disclosed |