⚠ 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 | |
|---|---|---|---|---|
| Hadacidin SCHEMBL2115651 | 0.71 | — | — | |
| SCHEMBL7562892 | 0.69 | — | — | |
| SCHEMBL393815 | 0.69 | — | — | |
| SCHEMBL80952 | 0.67 | — | — | |
| SCHEMBL19171485 | 0.67 | — | — | |
| SCHEMBL24355143 | 0.65 | — | — | |
| SCHEMBL12281868 | 0.65 | — | — | |
| SCHEMBL16054687 | 0.65 | — | — | |
| SCHEMBL29281347 | 0.65 | — | — | |
| SCHEMBL7522759 | 0.65 | — | — |
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-20120077279-A1 | Silica Nanoparticles Incorporating Chemiluminescent And Absorbing Active Molecules | CORNELL UNIVERSITY (US) | 2012-03-29 | — | — | US | disclosed |