⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL16557003 | 0.69 | — | — | |
| SCHEMBL23843837 | 0.66 | — | — | |
| SCHEMBL911171 | 0.62 | — | — | |
| SCHEMBL9933484 | 0.60 | — | — | |
| SCHEMBL19591705 | 0.59 | — | — | |
| SCHEMBL4354912 | 0.56 | — | — | |
| SCHEMBL3957751 | 0.56 | — | — | |
| SCHEMBL4349099 | 0.56 | — | — | |
| SCHEMBL23015410 | 0.56 | — | — | |
| SCHEMBL4352722 | 0.56 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017136466-A1 | HEME PROTEIN CATALYSTS FOR CARBON-SILICON BOND FORMATION IN VITRO AND IN VIVO | CALIFORNIA INSTITUTE OF TECHNOLOGY (US) | 2017-08-10 | — | — | WO | disclosed |