⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20692234 | 0.72 | CNR2 (0.32) | — | |
| SCHEMBL24258681 | 0.68 | KCNJ1 (0.30) | — | |
| SCHEMBL20692028 | 0.61 | SLC29A1 (0.47) | — | |
| SCHEMBL24680745 | 0.59 | SLC29A1 (0.32) | — | |
| SCHEMBL24060657 | 0.59 | SLC29A1 (0.32) | — | |
| SCHEMBL7805282 | 0.59 | TSHR (0.58) | — | |
| SCHEMBL20691951 | 0.58 | SLC29A1 (0.37) | — | |
| SCHEMBL22351987 | 0.58 | BCHE (0.51) | — | |
| SCHEMBL20927155 | 0.58 | BCHE (0.51) | — | |
| SCHEMBL20692032 | 0.57 | ALDH1A1 (0.38) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3658565-B1 | CYCLIC DINUCLEOTIDES AS ANTICANCER AGENTS | BRISTOL MYERS SQUIBB CO (US) | 2022-11-09 | — | — | EP | disclosed |
| WO-2019023459-A1 | CYCLIC DINUCLEOTIDES AS ANTICANCER AGENTS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2019-01-31 | — | — | WO | disclosed |