⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4404388 | 0.67 | — | — | |
| SCHEMBL4410913 | 0.62 | — | — | |
| SCHEMBL4413577 | 0.57 | — | — | |
| SCHEMBL4409149 | 0.57 | — | — | |
| SCHEMBL22567245 | 0.53 | — | — | |
| SCHEMBL13528411 | 0.53 | — | — | |
| SCHEMBL42968 | 0.45 | GRIN2D (0.33) | — | |
| SCHEMBL22689491 | 0.45 | — | — | |
| Fluoride SCHEMBL2590705 | 0.42 | — | — | |
| Hydrochloric Acid SCHEMBL4178849 | 0.41 | GRIN2D (0.31) | — |
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-1859782-B1 | Composition for coloring and/or lightening human hair comprising tetrazoles | HENKEL AG & CO KGAA (DE) | 2009-12-30 | — | — | EP | disclosed |