⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL4722623 | 0.78 | SCN1A (0.43) | — | |
| SCHEMBL10707298 | 0.78 | TLR8 (0.37) | — | |
| SCHEMBL173416 | 0.77 | — | — | |
| SCHEMBL2220312 | 0.76 | — | — | |
| SCHEMBL9662778 | 0.75 | ALDH1A1 (0.35) | — | |
| Hydrochloric Acid SCHEMBL10702462 | 0.74 | — | — | |
| SCHEMBL4803761 | 0.73 | TRPM8 (0.36) | — | |
| SCHEMBL2852646 | 0.73 | SCN1A (0.40) | — | |
| SCHEMBL4720415 | 0.72 | SCN1A (0.42) | — | |
| SCHEMBL13844015 | 0.72 | FFAR2 (0.35) | — |
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 |
|---|---|---|---|---|---|---|---|
| EP-2523951-A1 | INHIBITORS OF FLAVIVIRIDAE VIRUSES | Gilead Sciences, Inc. (US) | 2012-11-21 | — | — | EP | disclosed |
| WO-2011088303-A1 | INHIBITORS OF FLAVIVIRIDAE VIRUSES | GILEAD SCIENCES , INC. (US) | 2011-07-21 | — | — | WO | disclosed |