⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17188925 | 0.67 | — | — | |
| SCHEMBL18373285 | 0.59 | — | — | |
| SCHEMBL16433579 | 0.45 | — | — | |
| SCHEMBL7696857 | 0.44 | — | — | |
| SCHEMBL19594688 | 0.43 | — | — | |
| SCHEMBL7074314 | 0.42 | — | — | |
| SCHEMBL9410821 | 0.39 | — | — | |
| SCHEMBL17791421 | 0.30 | — | — | |
| SCHEMBL7918381 | 0.29 | — | — | |
| SCHEMBL7156637 | 0.28 | THRB (0.39) | — |
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-20220143061-A1 | 3'3'-CYCLIC DINUCLEOTIDES AND PRODRUGS THEREOF | INSTITUTE OF ORGANIC CHEMISTRY AND BIOCHEMISTRY ASCR, V.V.I. (CZ) | 2022-05-12 | — | — | US | disclosed |