⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12190369 | 1.00 | — | — | |
| SCHEMBL2403909 | 0.78 | — | — | |
| SCHEMBL63679 | 0.78 | PTGS1 (0.39) | — | |
| SCHEMBL14414885 | 0.78 | PTGS1 (0.39) | — | |
| SCHEMBL789961 | 0.78 | PTGS1 (0.39) | — | |
| SCHEMBL14085385 | 0.77 | PAOX (0.35) | — | |
| SCHEMBL4546740 | 0.76 | PTGS1 (0.35) | — | |
| SCHEMBL25336178 | 0.75 | PTGS1 (0.38) | — | |
| Ammonia Solution, Strong SCHEMBL9351921 | 0.75 | PTGS1 (0.38) | — | |
| SCHEMBL11343102 | 0.75 | PTGS1 (0.38) | — |
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-7270683-B2 | A triazacyclononane compound, hydrogen peroxide as an oxidizing agent, a base, and ethylenediaminetetraacetic acid, ethylenediaminehydroxyethyltriacetic acid, or diethylenetriaminepentaacetic acid; improved bleaching ability, bright color tone, reduced hair damage and scalp irritation | KAO CORPORATION (JP) | 2007-09-18 | — | — | US | disclosed |