⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20738688 | 0.82 | — | — | |
| SCHEMBL20733950 | 0.82 | — | — | |
| SCHEMBL1521408 | 0.80 | HSP90AA1 (0.43) | — | |
| SCHEMBL11870172 | 0.76 | — | — | |
| SCHEMBL4264233 | 0.76 | — | — | |
| SCHEMBL29051480 | 0.76 | HSP90AA1 (0.46) | — | |
| SCHEMBL3295440 | 0.76 | — | — | |
| SCHEMBL681871 | 0.76 | — | — | |
| SCHEMBL1560979 | 0.76 | — | — | |
| SCHEMBL30478981 | 0.76 | HSP90AA1 (0.46) | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2005070916-A1 | THIOPHENE AND FURAN COMPOUNDS | ELI LILLY AND COMPANY (US) | 2005-08-04 | — | — | WO | disclosed |