⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9227806 | 0.96 | — | — | |
| SCHEMBL10821941 | 0.92 | — | — | |
| Ammonia Solution, Strong SCHEMBL26686894 | 0.92 | — | — | |
| Ammonia Solution, Strong SCHEMBL30532603 | 0.89 | — | — | |
| SCHEMBL28004615 | 0.81 | — | — | |
| SCHEMBL28325839 | 0.74 | — | — | |
| SCHEMBL8304032 | 0.72 | — | — | |
| SCHEMBL9617014 | 0.72 | — | — | |
| Peroxynitrite SCHEMBL17180226 | 0.70 | — | — | |
| SCHEMBL5435000 | 0.69 | — | — |
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-2001068793-A1 | CLEANING AGENT | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 2001-09-20 | — | — | WO | disclosed |