⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2117012 | 1.00 | — | — | |
| SCHEMBL10893748 | 1.00 | — | — | |
| SCHEMBL28252884 | 0.85 | RELA (0.31) | — | |
| SCHEMBL28350531 | 0.85 | RELA (0.31) | — | |
| SCHEMBL28591828 | 0.83 | RELA (0.33) | — | |
| SCHEMBL5122647 | 0.81 | CA2 (0.36) | — | |
| SCHEMBL29272027 | 0.81 | LMNA (0.35) | — | |
| SCHEMBL28900841 | 0.78 | LOX (0.31) | — | |
| SCHEMBL28358088 | 0.78 | RELA (0.44) | — | |
| SCHEMBL28988371 | 0.78 | MEN1 (0.30) | — |
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-113025184-A | High-adhesion waterborne polyurethane coating resin and preparation method thereof | 合肥科天水性科技有限责任公司 | 2021-06-25 | — | — | CN | disclosed |