⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL24258568 | 0.69 | ALDH1A1 (0.39) | — | |
| SCHEMBL24258681 | 0.67 | KCNJ1 (0.30) | — | |
| SCHEMBL20927136 | 0.64 | BCHE (0.51) | — | |
| SCHEMBL24559517 | 0.58 | ALDH1A1 (0.36) | — | |
| SCHEMBL22524086 | 0.57 | ALDH1A1 (0.48) | — | |
| SCHEMBL20692032 | 0.56 | ALDH1A1 (0.38) | — | |
| SCHEMBL17232078 | 0.55 | ALDH1A1 (0.43) | — | |
| SCHEMBL12567150 | 0.55 | BCHE (0.47) | — | |
| SCHEMBL21626046 | 0.54 | BCHE (0.51) | — | |
| SCHEMBL21540015 | 0.54 | ALDH1A1 (0.73) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-3752516-B1 | CYCLIC DINUCLEOTIDES AS ANTICANCER AGENTS | BRISTOL MYERS SQUIBB CO (US) | 2022-02-23 | — | — | EP | disclosed |