⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL18434563 | 0.71 | — | — | |
| SCHEMBL22087937 | 0.69 | — | — | |
| SCHEMBL19867756 | 0.69 | — | — | |
| SCHEMBL14958768 | 0.67 | — | — | |
| SCHEMBL21983782 | 0.66 | — | — | |
| SCHEMBL14315549 | 0.66 | — | — | |
| SCHEMBL24942982 | 0.66 | — | — | |
| SCHEMBL10243472 | 0.65 | — | — | |
| SCHEMBL21673010 | 0.65 | — | — | |
| SCHEMBL21888618 | 0.65 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| WO-2017027646-A1 | CYCLIC DI-NUCLEOTIDE COMPOUNDS AS STING AGONISTS | MERCK SHARP & DOHME CORP. (US) | 2017-02-16 | — | — | WO | disclosed |