⚠ 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 | |
|---|---|---|---|---|
| Bromoethane SCHEMBL7210362 | 0.85 | — | — | |
| Butane SCHEMBL569939 | 0.81 | — | — | |
| Sulfuric Acid SCHEMBL4653552 | 0.79 | — | — | |
| Butane SCHEMBL27385503 | 0.77 | CA1 (0.35) | — | |
| Propane SCHEMBL246308 | 0.76 | — | — | |
| Sulfuric Acid SCHEMBL26088738 | 0.76 | CA5A (0.40) | — | |
| N-Propyl Bromide SCHEMBL2478 | 0.76 | — | — | |
| N-Propyl Bromide SCHEMBL15864866 | 0.76 | — | — | |
| N-Propyl Bromide SCHEMBL5756591 | 0.76 | — | — | |
| SCHEMBL393458 | 0.74 | — | — |
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-20100105673-A1 | SUBSTITUTED AMINOFURANONES AND THEIR USE | BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) | 2010-04-29 | — | — | US | disclosed |