⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL61639 | 0.90 | PELI1 (0.32) | — | |
| SCHEMBL1537228 | 0.81 | SLC16A3 (0.34) | — | |
| SCHEMBL2231709 | 0.79 | PELI1 (0.33) | — | |
| SCHEMBL1276734 | 0.79 | PLAU (0.33) | — | |
| SCHEMBL2513050 | 0.78 | KDM4E (0.30) | — | |
| SCHEMBL571228 | 0.75 | — | — | |
| SCHEMBL4871382 | 0.74 | SNCA (0.30) | — | |
| SCHEMBL472841 | 0.72 | NFE2L2 (0.34) | — | |
| (Z)-1,2-Diphenylethene SCHEMBL27997885 | 0.72 | NFE2L2 (0.40) | — | |
| SCHEMBL3809209 | 0.71 | TTR (0.34) | — |
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-6221827-B1 | CONTAINING ALKALI METAL HYPOCHLORITE, ALKALI METAL HYDROXIDE, BETAINE, HYDROTROPE, SEQUESTRANT AND WATER | HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) | 2001-04-24 | — | — | US | disclosed |