⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2525094 | 0.67 | NISCH (0.39) | — | |
| SCHEMBL10768080 | 0.67 | — | — | |
| SCHEMBL972227 | 0.67 | KDM4E (0.56) | — | |
| SCHEMBL1467709 | 0.67 | KDM4E (0.31) | — | |
| SCHEMBL22959928 | 0.65 | — | — | |
| SCHEMBL18806856 | 0.64 | — | — | |
| SCHEMBL5218684 | 0.64 | — | — | |
| SCHEMBL2070970 | 0.64 | — | — | |
| SCHEMBL3532307 | 0.64 | — | — | |
| SCHEMBL16678331 | 0.63 | KMT2A (0.37) | — |
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-6831081-B2 | Herpes virus including simplex types 1 and 2, varicella zoster, human cytomegalovirus, Epstein-Barr and human 6, 7 and 8 | PHARMACIA & UPJOHN | 2004-12-14 | — | — | US | disclosed |