⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28875025 | 0.94 | — | — | |
| SCHEMBL2181354 | 0.93 | — | — | |
| SCHEMBL3960199 | 0.93 | — | — | |
| SCHEMBL15422 | 0.93 | — | — | |
| SCHEMBL23926390 | 0.86 | — | — | |
| SCHEMBL5556361 | 0.86 | — | — | |
| Ammonia Solution, Strong SCHEMBL1070242 | 0.86 | ALDH1A1 (0.33) | — | |
| Ethylene SCHEMBL11040177 | 0.86 | — | — | |
| Iodide SCHEMBL8464248 | 0.86 | — | — | |
| Ammonia Solution, Strong SCHEMBL11108859 | 0.86 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004020008-A1 | SUPERABSORBENT POLYMER PARTICLES | BASF AKTIENGESELLSCHAFT (DE) | 2004-03-11 | — | — | WO | disclosed |