⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3258932 | 0.95 | — | — | |
| SCHEMBL31053209 | 0.71 | — | — | |
| SCHEMBL639752 | 0.63 | — | — | |
| Ethylene SCHEMBL7180381 | 0.57 | — | — | |
| Ammonia Solution, Strong SCHEMBL11413772 | 0.57 | — | — | |
| Water SCHEMBL277569 | 0.57 | — | — | |
| Hydrogen Sulfide SCHEMBL11679956 | 0.57 | — | — | |
| SCHEMBL1056772 | 0.57 | — | — | |
| Ammonia Solution, Strong SCHEMBL6518320 | 0.57 | — | — | |
| SCHEMBL31163339 | 0.57 | — | — |
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-20090099301-A1 | MOLECULAR IMPRINTINGS FOR RECOGNITION IN AQUEOUS MEDIA, METHODS FOR PREPARING SAME AND USES THEREOF | POLYINTELL (FR) | 2009-04-16 | — | — | US | disclosed |