⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4809816 | 0.59 | — | — | |
| SCHEMBL28431387 | 0.55 | — | — | |
| SCHEMBL2046300 | 0.51 | — | — | |
| SCHEMBL2046827 | 0.51 | — | — | |
| SCHEMBL14538452 | 0.50 | — | — | |
| SCHEMBL9733921 | 0.50 | — | — | |
| SCHEMBL2046301 | 0.49 | — | — | |
| SCHEMBL2046825 | 0.48 | — | — | |
| SCHEMBL1145502 | 0.47 | — | — | |
| SCHEMBL738391 | 0.47 | — | — |
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-1378544-A2 | Tetraaza-pentamethine derivatives and their application for dyeing keratinous fibres | L'OREAL (FR) | 2004-01-07 | — | — | EP | disclosed |