⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL20876924 | 0.81 | — | — | |
| SCHEMBL27842328 | 0.75 | HTR2A (0.33) | — | |
| SCHEMBL28034257 | 0.74 | CYP19A1 (0.33) | — | |
| SCHEMBL28576212 | 0.72 | CYP19A1 (0.39) | — | |
| SCHEMBL29973340 | 0.72 | KEAP1 (0.40) | — | |
| SCHEMBL30701837 | 0.72 | LMNA (0.35) | — | |
| SCHEMBL26672186 | 0.71 | OPRM1 (0.38) | — | |
| SCHEMBL30381763 | 0.71 | — | — | |
| SCHEMBL27967599 | 0.70 | CHRNA7 (0.32) | — | |
| SCHEMBL6391837 | 0.70 | — | — |
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-117757523-A | Multi-component scale inhibitor and method for preventing scale in petrochemical production | 江苏太湖新材料技术研发有限公司 | 2024-03-26 | — | — | CN | disclosed |