⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1050696 | 0.78 | PKM (0.31) | — | |
| SCHEMBL2832684 | 0.73 | LMNA (0.33) | — | |
| SCHEMBL20221333 | 0.72 | OPRM1 (0.35) | — | |
| SCHEMBL2875860 | 0.71 | LMNA (0.36) | — | |
| SCHEMBL9781610 | 0.71 | FFAR3 (0.35) | — | |
| Hydrochloric Acid SCHEMBL19926061 | 0.70 | LMNA (0.35) | — | |
| SCHEMBL28656107 | 0.69 | — | — | |
| SCHEMBL2843811 | 0.67 | — | — | |
| Trifluoroacetic Acid SCHEMBL30409503 | 0.67 | F2 (0.31) | — | |
| SCHEMBL9781660 | 0.67 | NPSR1 (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-3019196-B1 | COMBINATIONS OF HEPATITIS C VIRUS INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2018-06-06 | — | — | EP | disclosed |
| EP-2802326-B1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2018-04-18 | — | — | EP | disclosed |