⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL30089497 | 0.68 | — | — | |
| SCHEMBL7017850 | 0.61 | KDM5B (0.59) | — | |
| SCHEMBL1576524 | 0.59 | ALDH1A1 (0.41) | — | |
| SCHEMBL7016511 | 0.58 | KDM5B (0.44) | — | |
| SCHEMBL20208091 | 0.57 | ADORA2A (0.56) | — | |
| SCHEMBL7016891 | 0.55 | KDM5B (0.44) | — | |
| SCHEMBL18776508 | 0.55 | KDM4E (0.30) | — | |
| SCHEMBL1033720 | 0.54 | — | — | |
| SCHEMBL3485921 | 0.54 | — | — | |
| SCHEMBL1681856 | 0.53 | GDA (0.44) | — |
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-20220033435-A1 | Cyclic Di-Nucleotide Compounds as STING Agonists | MERCK SHARP & DOHME CORP. (US) | 2022-02-03 | — | — | US | disclosed |