⚠ 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 | |
|---|---|---|---|---|
| Chloromethane SCHEMBL8502682 | 0.96 | — | — | |
| SCHEMBL13093806 | 0.95 | — | — | |
| SCHEMBL478395 | 0.95 | — | — | |
| SCHEMBL5933999 | 0.91 | — | — | |
| SCHEMBL6912285 | 0.91 | — | — | |
| Chloroform SCHEMBL8784909 | 0.73 | — | — | |
| Chloromethane SCHEMBL28843809 | 0.73 | — | — | |
| SCHEMBL975868 | 0.72 | — | — | |
| Methoxymethane SCHEMBL7518966 | 0.70 | — | — | |
| SCHEMBL62080 | 0.70 | — | — |
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-6043242-A | TREATING A MAMMAL AFFLICTED WITH A DISEASE BASED ON HELICOBACTER BACTERIA | BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) | 2000-03-28 | — | — | US | disclosed |