⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28952733 | 0.76 | KDM4E (0.31) | — | |
| SCHEMBL27778367 | 0.70 | RHEB (0.36) | — | |
| SCHEMBL27983009 | 0.69 | — | — | |
| SCHEMBL27778364 | 0.68 | CA12 (0.41) | — | |
| SCHEMBL27967414 | 0.67 | HIF1A (0.34) | — | |
| SCHEMBL27911631 | 0.66 | ERCC1 (0.32) | — | |
| SCHEMBL27650372 | 0.66 | CYP19A1 (0.39) | — | |
| SCHEMBL27983280 | 0.65 | GPR84 (0.32) | — | |
| SCHEMBL28024864 | 0.64 | KDM4E (0.31) | — | |
| SCHEMBL28658782 | 0.63 | DAO (0.42) | — |
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-106187854-A | 5 replacement 4 bromine 1H pyrroles 2 formic ether compounds and preparation method thereof | 常熟理工学院 | 2016-12-07 | — | — | CN | disclosed |