⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL56782 | 0.96 | — | — | |
| Trimethylammonium SCHEMBL27609566 | 0.87 | — | — | |
| SCHEMBL5074994 | 0.82 | — | — | |
| SCHEMBL16792463 | 0.80 | — | — | |
| SCHEMBL2552540 | 0.76 | — | — | |
| SCHEMBL14359908 | 0.74 | — | — | |
| SCHEMBL16832468 | 0.72 | — | — | |
| SCHEMBL2553411 | 0.72 | — | — | |
| SCHEMBL467782 | 0.70 | ODC1 (0.36) | — | |
| SCHEMBL820094 | 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 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-111465659-B | Coating composition for sealing surfaces | 瓦克化学股份公司 | 2022-09-27 | — | — | CN | disclosed |