⚠ 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 | |
|---|---|---|---|---|
| Hydrochloric Acid SCHEMBL5692547 | 0.78 | — | — | |
| SCHEMBL1358683 | 0.74 | — | — | |
| Hydrochloric Acid SCHEMBL11504677 | 0.72 | — | — | |
| SCHEMBL56461 | 0.66 | — | — | |
| SCHEMBL56781 | 0.66 | — | — | |
| SCHEMBL14944058 | 0.65 | — | — | |
| Hydrochloric Acid SCHEMBL1926996 | 0.64 | — | — | |
| SCHEMBL19445527 | 0.64 | — | — | |
| Ammonia Solution, Strong SCHEMBL16412338 | 0.64 | — | — | |
| Hydrochloric Acid SCHEMBL31604951 | 0.64 | — | — |
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-2021242923-A1 | TLR2 MODULATOR COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF | AXIAL THERAPEUTICS, INC. (US) | 2021-12-02 | — | — | WO | disclosed |