⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3012130 | 0.76 | — | — | |
| Water SCHEMBL28967095 | 0.74 | — | — | |
| SCHEMBL6691095 | 0.74 | — | — | |
| Bromide SCHEMBL3006965 | 0.74 | — | — | |
| SCHEMBL28982055 | 0.70 | — | — | |
| SCHEMBL28575418 | 0.70 | — | — | |
| SCHEMBL28516723 | 0.70 | — | — | |
| Water SCHEMBL28864310 | 0.69 | ALDH1A1 (0.38) | — | |
| Phosphoric Acid SCHEMBL3014411 | 0.67 | FDPS (0.33) | — | |
| SCHEMBL28982060 | 0.67 | — | — |
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 3 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 |
| WO-2004005407-A2 | TETRA-AZAPENTAMETHINE AND USE THEREOF FOR DYEING KERATINOUS FIBERS | L'OREAL (FR) | 2004-01-15 | — | — | WO | disclosed |