⚠ 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 | |
|---|---|---|---|---|
| N-Propyl Bromide SCHEMBL15864866 | 1.00 | — | — | |
| N-Propyl Bromide SCHEMBL2478 | 1.00 | — | — | |
| N-Propyl Bromide SCHEMBL5370009 | 0.94 | — | — | |
| N-Propyl Bromide SCHEMBL4304191 | 0.94 | — | — | |
| N-Propyl Bromide SCHEMBL3841475 | 0.94 | — | — | |
| N-Propyl Bromide SCHEMBL9413503 | 0.94 | — | — | |
| N-Propyl Bromide SCHEMBL5810818 | 0.94 | — | — | |
| N-Propyl Bromide SCHEMBL643826 | 0.94 | — | — | |
| N-Propyl Bromide SCHEMBL11865393 | 0.94 | — | — | |
| N-Propyl Bromide SCHEMBL1258651 | 0.94 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-102656215-B | Solvent system without flash point and method for dissolving rigid polyurethane foam using the same | ALBEMARLE CORP | 2015-07-15 | — | — | CN | disclosed |
| EP-1341779-B1 | HETEROCYCLIC SULFONAMIDE INHIBITORS OF BETA AMYLOID PRODUCTION | WYETH CORP (US) | 2006-06-21 | — | — | EP | disclosed |