⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL25209646 | 0.96 | — | — | |
| SCHEMBL2499946 | 0.89 | MEN1 (0.31) | — | |
| SCHEMBL23950144 | 0.88 | — | — | |
| SCHEMBL3704036 | 0.88 | — | — | |
| SCHEMBL17052960 | 0.86 | — | — | |
| SCHEMBL20960849 | 0.84 | — | — | |
| SCHEMBL360475 | 0.84 | — | — | |
| SCHEMBL24530993 | 0.83 | ALDH1A1 (0.50) | — | |
| SCHEMBL8215029 | 0.83 | ALDH1A1 (0.50) | — | |
| SCHEMBL3837797 | 0.81 | — | — |
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-2023091554-A1 | NOVEL HETEROARYL-UREA COMPOUNDS AS KV7.2 INHIBITORS | ICAGEN, LLC (US) | 2023-05-25 | — | — | WO | disclosed |