⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5275752 | 0.61 | — | — | |
| SCHEMBL5278363 | 0.60 | — | — | |
| SCHEMBL5278124 | 0.60 | — | — | |
| SCHEMBL5275387 | 0.52 | — | — | |
| SCHEMBL5277616 | 0.52 | — | — | |
| SCHEMBL18823089 | 0.46 | NPC1 (0.37) | — | |
| Selenium SCHEMBL29773737 | 0.42 | — | — | |
| SCHEMBL60757 | 0.42 | — | — | |
| SCHEMBL28330091 | 0.42 | — | — | |
| SCHEMBL9106462 | 0.42 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-1859782-A1 | Composition for coloring and/or lightening human hair comprising tetrazoles | Henkel Kommanditgesellschaft auf Aktien (DE) | 2007-11-28 | — | — | EP | disclosed |