⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23079326 | 0.81 | ALDH1A1 (0.33) | — | |
| SCHEMBL24477409 | 0.77 | TSHR (0.33) | — | |
| SCHEMBL19401735 | 0.70 | — | — | |
| SCHEMBL12247860 | 0.68 | ALDH1A1 (0.35) | — | |
| SCHEMBL13543228 | 0.68 | ALDH1A1 (0.35) | — | |
| SCHEMBL24850733 | 0.68 | ALDH1A1 (0.35) | — | |
| SCHEMBL24263114 | 0.68 | L3MBTL1 (0.39) | — | |
| SCHEMBL18272885 | 0.67 | CASP1 (0.41) | — | |
| SCHEMBL20349710 | 0.67 | CASP1 (0.41) | — | |
| SCHEMBL18462935 | 0.67 | CYP2C9 (0.43) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2021046426-A9 | CYCLIC DINUCLEOTIDE STING AGONISTS TETHERED TO A PD-1 OR CTLA-4 ANTIBODIES | SPEROVIE BIOSCIENCES, INC. (US) | 2022-02-17 | — | — | WO | disclosed |
| WO-2021046426-A1 | CYCLIC DINUCLEOTIDE STING AGONISTS TETHERED TO A PD-1 OR CTLA-4 ANTIBODIES | SPEROVIE BIOSCIENCES, INC. (US) | 2021-03-11 | — | — | WO | disclosed |