⚠ 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 | |
|---|---|---|---|---|
| Hydrogen Sulfide SCHEMBL7788097 | 1.00 | — | — | |
| Ammonia Solution, Strong SCHEMBL27844056 | 0.87 | — | — | |
| Methane SCHEMBL17940066 | 0.87 | — | — | |
| Hydrogen Sulfide SCHEMBL3473626 | 0.82 | — | — | |
| Hydrogen Sulfide SCHEMBL9231258 | 0.82 | — | — | |
| Hydrogen Sulfide SCHEMBL11443781 | 0.82 | OXTR (0.50) | — | |
| Hydrogen Sulfide SCHEMBL4649549 | 0.82 | — | — | |
| SCHEMBL62000 | 0.82 | — | — | |
| Hydrogen Sulfide SCHEMBL5300944 | 0.82 | OXTR (0.50) | — | |
| Hydrogen Sulfide SCHEMBL11129259 | 0.82 | — | — |
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-4312953-A | FOR BEER BOTTLES | OWENS-ILLINOIS, INC. (US) | 1982-01-26 | — | — | US | disclosed |