⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10249694 | 0.90 | — | — | |
| SCHEMBL2620375 | 0.86 | CYP2E1 (0.30) | — | |
| SCHEMBL10242005 | 0.83 | CYP2E1 (0.35) | — | |
| SCHEMBL2611965 | 0.81 | KDM4E (0.30) | — | |
| SCHEMBL2619516 | 0.81 | CYP2E1 (0.38) | — | |
| SCHEMBL13758862 | 0.79 | CYP2E1 (0.30) | — | |
| SCHEMBL13758700 | 0.79 | — | — | |
| SCHEMBL2104904 | 0.79 | — | — | |
| SCHEMBL2104902 | 0.79 | — | — | |
| SCHEMBL2105142 | 0.79 | KDM4E (0.31) | — |
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 |
|---|---|---|---|---|---|---|---|
| US-20120164103-A1 | Compounds and Methods for the Treatment or Prevention of Flavivirus Infections | VERTEX PHARMACEUTICALS (CANADA) INCORPORATED (CA) | 2012-06-28 | — | — | US | disclosed |
| US-7569600-B2 | Compounds and methods for the treatment of prevention of Flavivirus infections | VIROCHEM PHARMA INC. (CA) | 2009-08-04 | — | — | US | disclosed |