⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4434383 | 0.80 | — | — | |
| SCHEMBL293923 | 0.74 | — | — | |
| SCHEMBL18787310 | 0.74 | — | — | |
| SCHEMBL5263376 | 0.74 | — | — | |
| SCHEMBL5387075 | 0.73 | — | — | |
| SCHEMBL9050336 | 0.71 | KDM4E (0.33) | — | |
| SCHEMBL2256248 | 0.71 | PDE4A (0.32) | — | |
| SCHEMBL933058 | 0.69 | CYP2D6 (0.38) | — | |
| SCHEMBL1477284 | 0.69 | HRH3 (0.47) | — | |
| SCHEMBL294358 | 0.69 | — | — |
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 |