⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22074813 | 0.64 | — | — | |
| SCHEMBL9761378 | 0.62 | — | — | |
| SCHEMBL2784363 | 0.62 | — | — | |
| SCHEMBL5024271 | 0.61 | — | — | |
| SCHEMBL4348084 | 0.61 | — | — | |
| SCHEMBL10378076 | 0.61 | — | — | |
| SCHEMBL4348087 | 0.60 | — | — | |
| SCHEMBL667621 | 0.58 | — | — | |
| SCHEMBL4071580 | 0.57 | ADRA1A (0.33) | — | |
| SCHEMBL2306547 | 0.56 | — | — |
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-0893985-B1 | KERATIN FIBRE DYE COMPOSITIONS CONTAINING IMIDAZOLO-AZOLE COMPOUNDS, USE THEREOF AS DYE COUPLERS, AND DYEING METHOD | OREAL (FR) | 2000-04-12 | — | — | EP | claimed |