⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL635011 | 0.81 | CA1 (0.33) | — | |
| SCHEMBL634890 | 0.77 | — | — | |
| SCHEMBL2809791 | 0.77 | CYP4F2 (0.44) | — | |
| SCHEMBL2810710 | 0.74 | CYP4F2 (0.32) | — | |
| SCHEMBL7815313 | 0.72 | CA12 (0.45) | — | |
| SCHEMBL2807497 | 0.70 | CYP4F2 (0.30) | — | |
| SCHEMBL30234788 | 0.69 | DGAT1 (0.42) | — | |
| SCHEMBL3094 | 0.69 | — | — | |
| SCHEMBL28325001 | 0.69 | DGAT1 (0.42) | — | |
| SCHEMBL28902273 | 0.69 | DGAT1 (0.42) | — |
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 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101652383-B | Hepatitis c virus inhibitors | BRISTOL MYERS SQUIBB CO | 2013-09-18 | — | — | CN | disclosed |
| CN-101541784-B | Hepatitis c virus inhibitors | BRISTOL MYERS SQUIBB CO | 2013-04-24 | — | — | CN | disclosed |
| CN-101652383-A | Hepatitis c virus inhibitors | SQUIBB BRISTOL MYERS CO US | 2010-02-17 | — | — | CN | disclosed |
| CN-101541784-A | Hepatitis C virus inhibitors | BRISTOL MYERS SQUIBB CO (US) | 2009-09-23 | — | — | CN | disclosed |