⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL887973 | 1.00 | — | — | |
| SCHEMBL411 | 1.00 | — | — | |
| Phosphine SCHEMBL5862962 | 0.95 | — | — | |
| Ammonia Solution, Strong SCHEMBL170117 | 0.95 | — | — | |
| SCHEMBL1434105 | 0.95 | — | — | |
| Bromide SCHEMBL1521338 | 0.95 | — | — | |
| Water SCHEMBL8082748 | 0.95 | — | — | |
| SCHEMBL15013516 | 0.95 | — | — | |
| SCHEMBL2357677 | 0.95 | — | — | |
| SCHEMBL1486799 | 0.95 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2013008509-A1 | METHOD FOR STABILIZING ALLYL BROMIDE COMPOUND, AND STABILIZED ALLYL BROMIDE COMPOUND COMPOSITION | 東ソー有機化学株式会社 (JP) | 2013-01-17 | — | — | WO | disclosed |
| EP-1341779-B1 | HETEROCYCLIC SULFONAMIDE INHIBITORS OF BETA AMYLOID PRODUCTION | WYETH CORP (US) | 2006-06-21 | — | — | EP | disclosed |