⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL9684858 | 0.74 | TDP1 (0.39) | — | |
| SCHEMBL11127754 | 0.73 | — | — | |
| SCHEMBL826470 | 0.73 | — | — | |
| SCHEMBL7022043 | 0.72 | LMNA (0.47) | — | |
| SCHEMBL11879583 | 0.71 | CA2 (0.42) | — | |
| SCHEMBL10499692 | 0.68 | TSHR (0.46) | — | |
| SCHEMBL12818676 | 0.68 | HSP90AA1 (0.36) | — | |
| SCHEMBL6168611 | 0.68 | — | — | |
| SCHEMBL3027426 | 0.66 | VCP (0.44) | — | |
| SCHEMBL15963724 | 0.62 | — | — |
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 |