⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL22166994 | 0.86 | PDE4B (0.30) | — | |
| SCHEMBL22796995 | 0.74 | PDE4A (0.30) | — | |
| SCHEMBL22797001 | 0.70 | — | — | |
| SCHEMBL22215584 | 0.69 | CYP2A6 (0.32) | — | |
| SCHEMBL21931150 | 0.69 | PDE7A (0.38) | — | |
| SCHEMBL22796965 | 0.69 | KDM4E (0.43) | — | |
| SCHEMBL21594783 | 0.65 | PDE7A (0.33) | — | |
| SCHEMBL10653657 | 0.65 | MEN1 (0.35) | — | |
| SCHEMBL24225308 | 0.64 | — | — | |
| SCHEMBL18464511 | 0.64 | PDE7A (0.31) | — |
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-20220315926-A1 | An Aptamer for Dengue Virus and Related Methods and Products | AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) | 2022-10-06 | — | — | US | disclosed |