⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1244338 | 0.84 | MAOA (0.70) | — | |
| SCHEMBL29438821 | 0.83 | CHRM2 (0.70) | — | |
| SCHEMBL230222 | 0.83 | CHRM2 (0.70) | — | |
| SCHEMBL29846220 | 0.82 | MAOA (0.68) | — | |
| SCHEMBL25211342 | 0.81 | CHRM2 (0.68) | — | |
| Zinc Ion SCHEMBL30205248 | 0.81 | CHRM2 (0.68) | — | |
| Zinc Ion SCHEMBL30442739 | 0.81 | CHRM2 (0.68) | — | |
| SCHEMBL18493706 | 0.81 | CHRM2 (0.68) | — | |
| SCHEMBL317984 | 0.81 | CHRM2 (0.68) | — | |
| SCHEMBL229311 | 0.80 | CXCR4 (0.68) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20230242565-A1 | Macrolides with Modified Desosamine Sugars and Uses Thereof | ZIKANI THERAPEUTICS, INC. | 2023-08-03 | — | — | US | disclosed |