⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1866042 | 1.00 | — | — | |
| SCHEMBL23616091 | 1.00 | TRPA1 (0.41) | — | |
| SCHEMBL7068807 | 0.97 | — | — | |
| SCHEMBL6568382 | 0.87 | — | — | |
| SCHEMBL7155535 | 0.83 | TRPA1 (0.50) | — | |
| SCHEMBL7156742 | 0.83 | TRPA1 (0.50) | — | |
| SCHEMBL7155007 | 0.83 | TRPA1 (0.50) | — | |
| SCHEMBL7155296 | 0.83 | TRPA1 (0.50) | — | |
| SCHEMBL7153640 | 0.83 | TRPA1 (0.50) | — | |
| SCHEMBL11965847 | 0.83 | TRPA1 (0.50) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-9593331-B2 | Double-stranded nucleic acid molecule for gene expression control | OSAKA CITY UNIVERSITY (JP) | 2017-03-14 | — | — | US | disclosed |
| US-20160304459-A1 | NOVEL COMPOUND, PRODUCTION METHOD THEREFOR, AND APPLICATION THEREFOR | TOKYO UNIVERSITY OF PHARMACY & LIFE SCIENCES (JP) | 2016-10-20 | — | — | US | disclosed |