⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13262363 | 0.59 | — | — | |
| SCHEMBL7921025 | 0.59 | — | — | |
| SCHEMBL8382400 | 0.59 | — | — | |
| SCHEMBL28342736 | 0.58 | — | — | |
| SCHEMBL14892826 | 0.58 | — | — | |
| SCHEMBL19557136 | 0.56 | — | — | |
| SCHEMBL19557140 | 0.55 | — | — | |
| SCHEMBL20456180 | 0.55 | — | — | |
| SCHEMBL28113174 | 0.55 | — | — | |
| SCHEMBL20456151 | 0.54 | GRM4 (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 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2086995-B1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2012-02-22 | — | — | EP | disclosed |
| WO-2008064066-A1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2008-05-29 | — | — | WO | disclosed |