⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL11632052 | 1.00 | — | — | |
| SCHEMBL275669 | 1.00 | — | — | |
| SCHEMBL11546469 | 1.00 | — | — | |
| SCHEMBL80180 | 1.00 | — | — | |
| SCHEMBL5247957 | 1.00 | — | — | |
| SCHEMBL10412596 | 1.00 | — | — | |
| SCHEMBL9792683 | 1.00 | — | — | |
| SCHEMBL1172752 | 1.00 | — | — | |
| Methane SCHEMBL23526027 | 0.82 | — | — | |
| Iodide SCHEMBL16161324 | 0.82 | — | — |
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-5067966-A | Direct dyeing nitro dye for hair dyes which can be combined with a polymer | WELLA AKTIENGESELLSCHAFT (DE) | 1991-11-26 | — | — | US | disclosed |