⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13841670 | 0.76 | — | — | |
| SCHEMBL14379728 | 0.73 | CHRNB2 (0.34) | — | |
| SCHEMBL13156385 | 0.69 | — | — | |
| SCHEMBL23656209 | 0.62 | — | — | |
| SCHEMBL23533887 | 0.62 | — | — | |
| SCHEMBL20775428 | 0.61 | — | — | |
| SCHEMBL11101962 | 0.60 | — | — | |
| Bromide SCHEMBL22467852 | 0.59 | — | — | |
| SCHEMBL26275205 | 0.59 | — | — | |
| SCHEMBL24035088 | 0.58 | HTR1A (0.34) | — |
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-9120779-B2 | Inhibitors of HCV NS5A | PRESIDIO PHARMACEUTICALS, INC. (US) | 2015-09-01 | — | — | US | disclosed |
| US-20110237579-A1 | INHIBITORS OF HCV NS5A | PRESIDIO PHARMACEUTICALS, INC. (US) | 2011-09-29 | — | — | US | disclosed |