⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13400421 | 1.00 | — | — | |
| SCHEMBL6844562 | 0.86 | — | — | |
| SCHEMBL17488360 | 0.81 | — | — | |
| SCHEMBL19723229 | 0.81 | — | — | |
| SCHEMBL17488359 | 0.81 | — | — | |
| SCHEMBL21386086 | 0.79 | ADH1B (0.32) | — | |
| SCHEMBL18502882 | 0.79 | ADH1B (0.32) | — | |
| SCHEMBL8214008 | 0.74 | IRAK4 (0.34) | — | |
| SCHEMBL6142299 | 0.74 | IRAK4 (0.34) | — | |
| SCHEMBL14724552 | 0.74 | IRAK4 (0.34) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-11827641-B2 | Toll-like receptor antagonist compounds and methods of use | DYNAVAX TECHNOLOGIES CORPORATION (US) | 2023-11-28 | — | — | US | disclosed |
| US-20230348424-A1 | HETEROCYCLIC COMPOUNDS AND METHODS OF USE | SCHRÖDINGER, INC. | 2023-11-02 | — | — | US | disclosed |
| WO-2018089695-A1 | TOLL-LIKE RECEPTOR ANTAGONIST COMPOUNDS AND METHODS OF USE | DYNAVAX TECHNOLOGIES CORPORATION (US) | 2018-05-17 | — | — | WO | disclosed |