⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10750 | 0.83 | — | — | |
| Hydrochloric Acid SCHEMBL19732792 | 0.76 | — | — | |
| SCHEMBL300449 | 0.71 | — | — | |
| SCHEMBL1639142 | 0.71 | — | — | |
| SCHEMBL1638758 | 0.71 | — | — | |
| SCHEMBL3006612 | 0.69 | — | — | |
| SCHEMBL609288 | 0.69 | — | — | |
| SCHEMBL18082029 | 0.69 | ALDH1A1 (0.31) | — | |
| SCHEMBL25011374 | 0.69 | — | — | |
| SCHEMBL61046 | 0.69 | ROCK2 (0.32) | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20230348387-A1 | NON-LYSOSOMAL GLUCOSYLCERAMIDASE INHIBITORS AND USES THEREOF | ALECTOS THERAPEUTICS INC. (CA) | 2023-11-02 | — | — | US | disclosed |
| WO-2016087593-A1 | NOVEL FUNGICIDAL QUINOLINYLAMIDINES | SYNGENTA PARTICIPATIONS AG (CH) | 2016-06-09 | — | — | WO | disclosed |