⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1665467 | 0.66 | — | — | |
| SCHEMBL1030937 | 0.66 | — | — | |
| SCHEMBL3105440 | 0.65 | — | — | |
| Methyl Alcohol SCHEMBL6832438 | 0.64 | — | — | |
| Ethane SCHEMBL27535133 | 0.61 | — | — | |
| SCHEMBL1665420 | 0.59 | — | — | |
| SCHEMBL4254172 | 0.57 | — | — | |
| SCHEMBL3212979 | 0.57 | — | — | |
| SCHEMBL27801237 | 0.56 | — | — | |
| SCHEMBL9337670 | 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-20120065173-A1 | CHEMICAL COMPOUNDS | BERGER MARKUS (DE) | 2012-03-15 | — | — | US | disclosed |