⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2158446 | 0.89 | KDM4E (0.42) | — | |
| SCHEMBL2158614 | 0.87 | — | — | |
| SCHEMBL3814563 | 0.85 | KDM4E (0.43) | — | |
| SCHEMBL2158190 | 0.84 | RORB (0.40) | — | |
| SCHEMBL2157888 | 0.84 | — | — | |
| SCHEMBL2158072 | 0.83 | KDM4E (0.42) | — | |
| SCHEMBL3814621 | 0.82 | MEN1 (0.41) | — | |
| SCHEMBL2157675 | 0.82 | KDM4E (0.41) | — | |
| SCHEMBL2157574 | 0.81 | IKBKB (0.41) | — | |
| SCHEMBL2249001 | 0.81 | KDM4E (0.47) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2363396-A1 | Thiophene derivatives as antiviral agents for flavivirus infection | Virochem Pharma Inc. (CA) | 2011-09-07 | — | — | EP | disclosed |