⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL2276314 | 1.00 | — | — | |
| SCHEMBL19458450 | 0.92 | CYP3A4 (0.33) | — | |
| SCHEMBL19458451 | 0.92 | CYP3A4 (0.33) | — | |
| SCHEMBL3055194 | 0.89 | CYP3A4 (0.33) | — | |
| SCHEMBL10202399 | 0.88 | CYP3A4 (0.35) | — | |
| SCHEMBL14563075 | 0.88 | CYP3A4 (0.31) | — | |
| SCHEMBL2280538 | 0.84 | CYP2C9 (0.43) | — | |
| SCHEMBL2280546 | 0.84 | CYP2C9 (0.43) | — | |
| SCHEMBL1478632 | 0.83 | CYP3A4 (0.33) | — | |
| SCHEMBL19458492 | 0.83 | — | — |
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-2601188-B1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2017-10-18 | — | — | EP | claimed |
| US-20110195044-A1 | Hepatitis C Virus Inhibitors | BRISTOL-MYERS SQUIBB COMPANY | 2011-08-11 | — | — | US | claimed |