⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17847281 | 0.84 | ADORA2A (0.40) | — | |
| SCHEMBL27734016 | 0.81 | ADORA3 (0.35) | — | |
| SCHEMBL27567094 | 0.77 | PI4KA (0.43) | — | |
| SCHEMBL29677204 | 0.75 | CDK2 (0.49) | — | |
| SCHEMBL136630 | 0.75 | CDK2 (0.49) | — | |
| SCHEMBL29157618 | 0.73 | PI4KA (0.37) | — | |
| SCHEMBL25228360 | 0.70 | MGMT (0.43) | — | |
| SCHEMBL29394441 | 0.68 | ADORA3 (0.33) | — | |
| SCHEMBL4907123 | 0.68 | PDPK1 (0.44) | — | |
| SCHEMBL524229 | 0.68 | ADORA3 (0.33) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-119604304-A | Recombinant RNA molecules comprising an untranslated region or a segment encoding spike protein from the Severe acute respiratory coronavirus 2 Omikovia strain | 葛兰素史克生物有限公司 | 2025-03-11 | — | — | CN | disclosed |