⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL823131 | 0.76 | TRPA1 (0.52) | — | |
| SCHEMBL1785796 | 0.74 | — | — | |
| SCHEMBL10063290 | 0.74 | — | — | |
| SCHEMBL17683677 | 0.74 | — | — | |
| SCHEMBL14547843 | 0.74 | — | — | |
| SCHEMBL25203444 | 0.72 | TRPA1 (0.53) | — | |
| SCHEMBL15142299 | 0.72 | TRPA1 (0.53) | — | |
| SCHEMBL8844802 | 0.69 | TRPA1 (0.50) | — | |
| SCHEMBL220029 | 0.69 | TRPA1 (0.50) | — | |
| SCHEMBL24002325 | 0.69 | TRPA1 (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-2016097863-A1 | INHIBITORS OF BROMODOMAINS | ZENITH EPIGENETICS CORP. (CA) | 2016-06-23 | — | — | WO | disclosed |