⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL26764604 | 1.00 | — | — | |
| SCHEMBL26634370 | 1.00 | — | — | |
| SCHEMBL17751390 | 0.82 | TSHR (0.65) | — | |
| SCHEMBL10239103 | 0.82 | TSHR (0.65) | — | |
| SCHEMBL9720211 | 0.82 | TSHR (0.65) | — | |
| SCHEMBL10620706 | 0.80 | TSHR (0.35) | — | |
| SCHEMBL10620714 | 0.78 | — | — | |
| SCHEMBL7752345 | 0.78 | — | — | |
| SCHEMBL6930535 | 0.77 | TSHR (0.46) | — | |
| SCHEMBL22643634 | 0.77 | TSHR (0.46) | — |
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-114007610-A | Substituted heteroaromatic pyrazolopyridines and their use as modulators of the GLUN2B receptor | 詹森药业有限公司 | 2022-02-01 | — | — | CN | disclosed |