⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL698043 | 0.79 | — | — | |
| SCHEMBL698165 | 0.77 | AHR (0.31) | — | |
| SCHEMBL697546 | 0.77 | CES2 (0.32) | — | |
| SCHEMBL817524 | 0.77 | — | — | |
| SCHEMBL1116593 | 0.73 | — | — | |
| SCHEMBL1842850 | 0.72 | — | — | |
| SCHEMBL1844299 | 0.72 | — | — | |
| SCHEMBL704807 | 0.71 | — | — | |
| SCHEMBL146842 | 0.70 | — | — | |
| SCHEMBL1842198 | 0.69 | — | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-116891432-A | Nav1.8 inhibitors and uses thereof | 武汉人福创新药物研发中心有限公司 | 2023-10-17 | — | — | CN | disclosed |
| EP-1911751-A1 | AMIDE DERIVATIVE AND PESTICIDE CONTAINING SUCH COMPOUND | Mitsui Chemicals, Inc. (JP) | 2008-04-16 | — | — | EP | disclosed |