⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7624182 | 0.97 | — | — | |
| SCHEMBL7934524 | 0.80 | — | — | |
| SCHEMBL7630510 | 0.76 | — | — | |
| SCHEMBL7628492 | 0.76 | — | — | |
| Ammonia Solution, Strong SCHEMBL29257762 | 0.75 | — | — | |
| SCHEMBL7630330 | 0.70 | ADRB2 (0.30) | — | |
| Ammonia Solution, Strong SCHEMBL29257763 | 0.69 | — | — | |
| SCHEMBL7612477 | 0.67 | — | — | |
| SCHEMBL2468956 | 0.67 | — | — | |
| SCHEMBL12002738 | 0.67 | — | — |
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-118055862-A | Silica reinforced rubber compositions and articles made therefrom | 迈图高新材料公司 | 2024-05-17 | — | — | CN | disclosed |