⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL7980055 | 0.71 | PTGS2 (0.41) | — | |
| SCHEMBL7180791 | 0.70 | — | — | |
| SCHEMBL14880521 | 0.65 | CTSL (0.34) | — | |
| SCHEMBL1275338 | 0.64 | CHRNB4 (0.37) | — | |
| SCHEMBL19665087 | 0.63 | CA12 (0.50) | — | |
| SCHEMBL77935 | 0.63 | — | — | |
| SCHEMBL9492859 | 0.61 | ALDH1A1 (0.39) | — | |
| SCHEMBL5840979 | 0.61 | NOTUM (0.31) | — | |
| SCHEMBL27779466 | 0.61 | — | — | |
| SCHEMBL27779094 | 0.61 | — | — |
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 |