⚠ 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 | |
|---|---|---|---|---|
| Propane SCHEMBL28440529 | 0.82 | — | — | |
| Propane SCHEMBL365819 | 0.78 | HRH3 (0.43) | — | |
| Chloromethane SCHEMBL28108220 | 0.77 | — | — | |
| Butane SCHEMBL28006675 | 0.75 | HRH3 (0.43) | — | |
| Alcohol SCHEMBL2443956 | 0.75 | — | — | |
| Ethylamine SCHEMBL1615923 | 0.75 | — | — | |
| Butane SCHEMBL27529761 | 0.75 | HRH3 (0.43) | — | |
| SCHEMBL28056125 | 0.75 | — | — | |
| Ethyl Chloride SCHEMBL16239955 | 0.72 | — | — | |
| Ethylamine SCHEMBL28583879 | 0.72 | HRH3 (0.50) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-1791577-A | Fluoro-methylsulfonyl substituted cycloalkanoindoles and their use as prostaglandin D2 antagonists | MERCK FROSST CANADA LTD (CA) | 2006-06-21 | — | — | CN | disclosed |