⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL887882 | 0.81 | BRAF (0.39) | — | |
| SCHEMBL4430662 | 0.80 | XDH (0.39) | — | |
| SCHEMBL5699105 | 0.79 | HTT (0.36) | — | |
| SCHEMBL16146880 | 0.76 | CRHR1 (0.36) | — | |
| SCHEMBL6509992 | 0.75 | XDH (0.45) | — | |
| SCHEMBL16145783 | 0.74 | LMNA (0.42) | — | |
| SCHEMBL16146181 | 0.74 | LMNA (0.46) | — | |
| SCHEMBL7019371 | 0.74 | PDPK1 (0.36) | — | |
| SCHEMBL16146711 | 0.73 | LRRK2 (0.39) | — | |
| SCHEMBL16146526 | 0.73 | ADORA3 (0.43) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20050043268-A1 | Inhibition of viruses | MEDICAL RESEARCH COUNCIL (GB) | 2005-02-24 | — | — | US | disclosed |