⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL126785 | 0.79 | PLA2G2C (0.35) | — | |
| SCHEMBL23450964 | 0.77 | — | — | |
| SCHEMBL16772325 | 0.77 | — | — | |
| SCHEMBL24051084 | 0.77 | — | — | |
| SCHEMBL15423502 | 0.76 | ALDH1A1 (0.33) | — | |
| SCHEMBL12339200 | 0.73 | ALDH1A1 (0.33) | — | |
| SCHEMBL14417056 | 0.72 | — | — | |
| SCHEMBL16939054 | 0.71 | — | — | |
| SCHEMBL23784811 | 0.71 | — | — | |
| SCHEMBL20825494 | 0.71 | AOC1 (0.30) | — |
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 3 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20170313745-A1 | INHIBITORS OF HEPATITIS C VIRUS | GILEAD SCIENCES, INC. | 2017-11-02 | — | — | US | disclosed |
| US-9617310-B2 | Inhibitors of hepatitis C virus | GILEAD SCIENCES, INC. (US) | 2017-04-11 | — | — | US | disclosed |
| US-20140274884-A1 | INHIBITORS OF HEPATITIS C VIRUS | GILEAD SCIENCES, INC. | 2014-09-18 | — | — | US | disclosed |