⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL306157 | 0.78 | — | — | |
| Hydrochloric Acid SCHEMBL29174570 | 0.77 | PKM (0.46) | — | |
| Hydrochloric Acid SCHEMBL6991855 | 0.77 | — | — | |
| SCHEMBL6991521 | 0.76 | — | — | |
| SCHEMBL2170934 | 0.71 | — | — | |
| SCHEMBL12963536 | 0.71 | SMN1; SMN2 (0.45) | — | |
| SCHEMBL84740 | 0.70 | — | — | |
| SCHEMBL28864121 | 0.70 | KDM4C (0.36) | — | |
| SCHEMBL13574496 | 0.69 | FDPS (0.49) | — | |
| SCHEMBL1369210 | 0.69 | ALDH1A1 (0.50) | — |
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 |