⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL17369256 | 0.77 | ALDH1A1 (0.32) | — | |
| SCHEMBL3293708 | 0.64 | — | — | |
| SCHEMBL827133 | 0.64 | — | — | |
| SCHEMBL5917932 | 0.64 | — | — | |
| SCHEMBL3194879 | 0.60 | — | — | |
| SCHEMBL96633 | 0.59 | HSD17B10 (0.46) | — | |
| SCHEMBL5362844 | 0.58 | CYP2A6 (0.53) | — | |
| SCHEMBL8667994 | 0.57 | ALDH1A1 (0.48) | — | |
| SCHEMBL6454577 | 0.57 | ALDH1A1 (0.38) | — | |
| SCHEMBL12225600 | 0.57 | CHRNA3 (0.41) | — |
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 |
|---|---|---|---|---|---|---|---|
| CN-106456619-A | Bicyclic heterocyclic derivatives as IRAK4 inhibitors | 奥列基因发现技术有限公司 | 2017-02-22 | — | — | CN | disclosed |