⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1938604 | 0.82 | — | — | |
| SCHEMBL1725202 | 0.80 | — | — | |
| SCHEMBL27854770 | 0.75 | FFAR3 (0.31) | — | |
| SCHEMBL28148655 | 0.69 | TRPA1 (0.32) | — | |
| SCHEMBL21192461 | 0.67 | GRM4 (0.33) | — | |
| SCHEMBL20673481 | 0.67 | APLNR (0.31) | — | |
| SCHEMBL1937514 | 0.65 | — | — | |
| SCHEMBL13758545 | 0.63 | HSD11B1 (0.40) | — | |
| SCHEMBL181380 | 0.62 | — | — | |
| SCHEMBL16904324 | 0.62 | MAPK1 (0.37) | — |
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-2475657-A1 | INHIBITORS OF FLAVIVIRIDAE VIRUSES | Gilead Sciences, Inc. (US) | 2012-07-18 | — | — | EP | disclosed |
| WO-2011011303-A1 | INHIBITORS OF FLAVIVIRIDAE VIRUSES | GILEAD SCIENCES, INC. (US) | 2011-01-27 | — | — | WO | disclosed |