⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL189850 | 0.81 | ODC1 (0.33) | — | |
| SCHEMBL1180331 | 0.81 | — | — | |
| SCHEMBL6277277 | 0.80 | — | — | |
| Ammonia Solution, Strong SCHEMBL27877905 | 0.80 | ODC1 (0.32) | — | |
| SCHEMBL30483379 | 0.80 | ODC1 (0.32) | — | |
| SCHEMBL1674465 | 0.78 | DNM1 (0.31) | — | |
| SCHEMBL28459292 | 0.78 | — | — | |
| SCHEMBL13374204 | 0.77 | — | — | |
| SCHEMBL21061273 | 0.77 | DNM1 (0.34) | — | |
| SCHEMBL7698883 | 0.76 | ODC1 (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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-114846083-B | Sealant composition | 美国陶氏有机硅公司 | 2023-05-02 | — | — | CN | disclosed |