⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL23748228 | 0.81 | IDO1 (0.35) | — | |
| SCHEMBL28613803 | 0.78 | NFE2L2 (0.39) | — | |
| SCHEMBL23748214 | 0.76 | GAA (0.38) | — | |
| SCHEMBL24353740 | 0.75 | MAPT (0.38) | — | |
| SCHEMBL28627234 | 0.75 | HTR1A (0.39) | — | |
| SCHEMBL23748165 | 0.74 | ALDH1A1 (0.31) | — | |
| SCHEMBL16213529 | 0.72 | MAPT (0.39) | — | |
| SCHEMBL23748175 | 0.70 | DRD2 (0.36) | — | |
| SCHEMBL28148127 | 0.69 | ADRA2A (0.36) | — | |
| SCHEMBL24834248 | 0.68 | HPGD (0.41) | — |
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-113195502-A | Macrocyclic influenza endonuclease inhibitors | 詹森生物制药有限公司 | 2021-07-30 | — | — | CN | disclosed |