⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2523006 | 0.85 | — | — | |
| SCHEMBL16828143 | 0.81 | — | — | |
| SCHEMBL179249 | 0.79 | — | — | |
| SCHEMBL22008683 | 0.78 | TBXAS1 (0.39) | — | |
| Iodide SCHEMBL29201349 | 0.77 | NFKB1 (0.48) | — | |
| Bromide SCHEMBL28416620 | 0.77 | NFKB1 (0.48) | — | |
| SCHEMBL22412682 | 0.77 | — | — | |
| Methane SCHEMBL27732895 | 0.77 | NFKB1 (0.48) | — | |
| Hydrochloric Acid SCHEMBL29201345 | 0.77 | NFKB1 (0.48) | — | |
| SCHEMBL26111774 | 0.77 | NFKB1 (0.48) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2004005407-A2 | TETRA-AZAPENTAMETHINE AND USE THEREOF FOR DYEING KERATINOUS FIBERS | L'OREAL (FR) | 2004-01-15 | — | — | WO | claimed |
| EP-1378544-A2 | Tetraaza-pentamethine derivatives and their application for dyeing keratinous fibres | L'OREAL (FR) | 2004-01-07 | — | — | EP | claimed |