⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL28048381 | 0.68 | — | — | |
| SCHEMBL19652341 | 0.66 | — | — | |
| SCHEMBL61473 | 0.63 | — | — | |
| SCHEMBL19239533 | 0.61 | — | — | |
| SCHEMBL19239535 | 0.61 | — | — | |
| SCHEMBL16021657 | 0.61 | — | — | |
| SCHEMBL14707874 | 0.60 | TRPA1 (0.35) | — | |
| SCHEMBL14707873 | 0.60 | TRPA1 (0.39) | — | |
| SCHEMBL3313982 | 0.60 | — | — | |
| SCHEMBL5231042 | 0.60 | — | — |
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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-100413861-C | Compounds and methods for the treatment or prevention of flavivirus infections | VIROCHEM PHARMA INC (CA) | 2008-08-27 | — | — | CN | disclosed |
| CN-1795190-A | Compounds and methods for the treatment or prevention of flavivirus infections | VIROCHEM PHARMA INC (CA) | 2006-06-28 | — | — | CN | disclosed |