⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL5322896 | 0.83 | HRH4 (0.32) | — | |
| SCHEMBL9500613 | 0.82 | NOS3 (0.41) | — | |
| SCHEMBL20822020 | 0.79 | HRH4 (0.42) | — | |
| SCHEMBL20834976 | 0.78 | HRH4 (0.44) | — | |
| SCHEMBL21569587 | 0.78 | HRH4 (0.44) | — | |
| SCHEMBL14886894 | 0.77 | L3MBTL1 (0.40) | — | |
| SCHEMBL7974888 | 0.77 | — | — | |
| SCHEMBL31364605 | 0.77 | ALDH1A1 (0.31) | — | |
| SCHEMBL31364603 | 0.77 | ALDH1A1 (0.31) | — | |
| SCHEMBL11036952 | 0.75 | HRH2 (0.30) | — |
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-2018089695-A1 | TOLL-LIKE RECEPTOR ANTAGONIST COMPOUNDS AND METHODS OF USE | DYNAVAX TECHNOLOGIES CORPORATION (US) | 2018-05-17 | — | — | WO | disclosed |