⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL15496626 | 0.77 | — | — | |
| SCHEMBL2049490 | 0.73 | — | — | |
| SCHEMBL1257190 | 0.69 | — | — | |
| Ethylene SCHEMBL28148851 | 0.63 | — | — | |
| Hydrochloric Acid SCHEMBL28187803 | 0.63 | — | — | |
| SCHEMBL9170768 | 0.61 | — | — | |
| Cyclopropane SCHEMBL9242765 | 0.60 | — | — | |
| Propane SCHEMBL27685375 | 0.60 | — | — | |
| SCHEMBL6156311 | 0.57 | — | — | |
| SCHEMBL1067681 | 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 |
|---|---|---|---|---|---|---|---|
| US-20120187373-A1 | Stepwise Surface Assembly of Quantum Dot-Fullerene Heterodimers | BROOKHAVEN SCIENCE ASSOCIATES, LLC (US) | 2012-07-26 | — | — | US | disclosed |