⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL29181594 | 0.78 | — | — | |
| SCHEMBL28826724 | 0.75 | — | — | |
| SCHEMBL17580422 | 0.74 | — | — | |
| SCHEMBL28959117 | 0.72 | — | — | |
| SCHEMBL30701837 | 0.72 | LMNA (0.35) | — | |
| SCHEMBL7535870 | 0.69 | — | — | |
| SCHEMBL29975091 | 0.68 | CTSD (0.31) | — | |
| SCHEMBL2472610 | 0.68 | — | — | |
| SCHEMBL28904639 | 0.66 | — | — | |
| Alcohol SCHEMBL29014215 | 0.65 | — | — |
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-1758543-B1 | USE OF SPECIAL FORMYLATED QUINOLINIUM DERIVATIVES IN CONJUNCTION WITH AMINO-SUBSTITUTED DIARYL DERIVATIVES AND WITH AT LEAST ONE OTHER PRIMARY OR SECONDARY AROMATIC AMINE | HENKEL KGAA (DE) | 2007-09-05 | — | — | EP | claimed |
| CN-1474682-A | Enzymatic coloring agents | �����ɷ� | 2004-02-11 | — | — | CN | disclosed |