⚠ 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 | |
|---|---|---|---|---|
| Selenium SCHEMBL1204343 | 0.82 | — | — | |
| SCHEMBL28251806 | 0.82 | — | — | |
| Selenium SCHEMBL177385 | 0.82 | — | — | |
| Selenium SCHEMBL3156660 | 0.82 | — | — | |
| Selenium SCHEMBL6766758 | 0.82 | — | — | |
| SCHEMBL3156655 | 0.82 | — | — | |
| SCHEMBL25316497 | 0.67 | — | — | |
| Selenium SCHEMBL3695440 | 0.67 | — | — | |
| Water SCHEMBL821217 | 0.67 | — | — | |
| Selenium SCHEMBL3152218 | 0.67 | — | — |
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-20040086802-A1 | Two-dimensional materials and methods for ultra-high density data storage and retrieval | HEWLETT-PACKARD DEVELOPMENT COMPANY, L.P. | 2004-05-06 | — | — | US | disclosed |