⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23355925 | 1.00 | — | — | |
| SCHEMBL640211 | 0.86 | HPGD (0.35) | — | |
| SCHEMBL17940099 | 0.86 | HPGD (0.35) | — | |
| SCHEMBL1420780 | 0.85 | ACHE (0.31) | — | |
| SCHEMBL27786229 | 0.83 | ACHE (0.31) | — | |
| SCHEMBL319791 | 0.79 | — | — | |
| SCHEMBL14306947 | 0.79 | — | — | |
| SCHEMBL2601120 | 0.79 | — | — | |
| SCHEMBL15432292 | 0.79 | — | — | |
| SCHEMBL23779832 | 0.77 | HPGD (0.35) | — |
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-2013068322-A1 | ALKENYL NAPHTHYLACETIC ACIDS FOR TREATING RESPIRATORY DISORDERS | F. HOFFMANN-LA ROCHE AG (CH) | 2013-05-16 | — | — | WO | disclosed |