⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL782645 | 1.00 | — | — | |
| SCHEMBL23456016 | 0.91 | — | — | |
| SCHEMBL21385834 | 0.91 | — | — | |
| SCHEMBL782671 | 0.81 | NAE1 (0.32) | — | |
| SCHEMBL19749331 | 0.81 | NAE1 (0.32) | — | |
| SCHEMBL783683 | 0.79 | NAE1 (0.49) | — | |
| SCHEMBL24166812 | 0.79 | PDE9A (0.30) | — | |
| SCHEMBL782794 | 0.78 | NAE1 (0.51) | — | |
| SCHEMBL783044 | 0.76 | — | — | |
| SCHEMBL782570 | 0.76 | OPRM1 (0.31) | — |
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-20210015915-A1 | STING MODULATOR COMPOUNDS WITH SULFAMATE LINKAGES, AND METHODS OF MAKING AND USING | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2021-01-21 | — | — | US | disclosed |