⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1851187 | 0.81 | — | — | |
| SCHEMBL17049294 | 0.75 | POLB (0.32) | — | |
| SCHEMBL28608175 | 0.74 | KDM4E (0.30) | — | |
| SCHEMBL28924360 | 0.73 | NPSR1 (0.30) | — | |
| SCHEMBL6945191 | 0.73 | ALDH1A1 (0.30) | — | |
| SCHEMBL1851448 | 0.73 | DHFR (0.37) | — | |
| SCHEMBL5516786 | 0.72 | ALDH1A1 (0.42) | — | |
| SCHEMBL43388 | 0.72 | ALDH1A1 (0.42) | — | |
| SCHEMBL9183270 | 0.71 | ALDH1A1 (0.44) | — | |
| SCHEMBL11565152 | 0.70 | KMT2A (0.44) | — |
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-103373969-A | Phenyl imidazole ring-substituted amide compounds as well as preparation method and application for same | SHANGHAI INST ORGANIC CHEM | 2013-10-30 | — | — | CN | disclosed |