⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4413086 | 0.78 | NPC1 (0.33) | — | |
| SCHEMBL4405676 | 0.77 | GRIK1 (0.31) | — | |
| SCHEMBL4409055 | 0.75 | SMN1; SMN2 (0.42) | — | |
| SCHEMBL4405874 | 0.75 | — | — | |
| SCHEMBL4400322 | 0.75 | TRPV1 (0.49) | — | |
| SCHEMBL4405434 | 0.74 | POLB (0.38) | — | |
| SCHEMBL1303315 | 0.73 | NPC1 (0.31) | — | |
| SCHEMBL1303314 | 0.73 | — | — | |
| SCHEMBL1779528 | 0.73 | DAGLA (0.30) | — | |
| SCHEMBL4405449 | 0.72 | AOC3 (0.31) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1859782-B1 | Composition for coloring and/or lightening human hair comprising tetrazoles | HENKEL AG & CO KGAA (DE) | 2009-12-30 | — | — | EP | disclosed |
| EP-1859782-A1 | Composition for coloring and/or lightening human hair comprising tetrazoles | Henkel Kommanditgesellschaft auf Aktien (DE) | 2007-11-28 | — | — | EP | disclosed |