⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL3990051 | 0.76 | — | — | |
| SCHEMBL14270899 | 0.73 | — | — | |
| SCHEMBL29957624 | 0.68 | CYP2A6 (0.38) | — | |
| SCHEMBL3064394 | 0.66 | CYP2A6 (0.43) | — | |
| SCHEMBL6931291 | 0.64 | — | — | |
| SCHEMBL8444333 | 0.61 | CYP2A6 (0.52) | — | |
| SCHEMBL14265160 | 0.61 | CYP2A6 (0.52) | — | |
| SCHEMBL3649210 | 0.61 | SMN1; SMN2 (0.39) | — | |
| SCHEMBL23953640 | 0.59 | CYP2A6 (0.49) | — | |
| SCHEMBL14297507 | 0.59 | — | — |
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-1498109-A1 | Furan derivatives and dyeing composition comprising a furan derivative as coupler | L'OREAL (FR) | 2005-01-19 | — | — | EP | disclosed |