⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3512818 | 0.95 | — | — | |
| SCHEMBL23101 | 0.95 | — | — | |
| SCHEMBL27756386 | 0.95 | — | — | |
| SCHEMBL8764182 | 0.95 | — | — | |
| Ethylene SCHEMBL8885135 | 0.91 | — | — | |
| SCHEMBL18587180 | 0.91 | — | — | |
| Methane SCHEMBL2334117 | 0.91 | — | — | |
| Water SCHEMBL9124048 | 0.91 | — | — | |
| SCHEMBL9414245 | 0.91 | — | — | |
| SCHEMBL11518355 | 0.91 | — | — |
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-20110092678-A1 | SINGLE-LABELLING AGENTS BASED ON VINYL SULPHONE | UNIVERSIDAD DE GRANADA (ES) | 2011-04-21 | — | — | US | disclosed |