⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL34475704 | 0.89 | MEN1 (0.31) | — | |
| SCHEMBL34476140 | 0.83 | — | — | |
| SCHEMBL733128 | 0.79 | — | — | |
| SCHEMBL19521305 | 0.78 | — | — | |
| SCHEMBL17111456 | 0.75 | — | — | |
| SCHEMBL17111457 | 0.75 | — | — | |
| SCHEMBL16424464 | 0.74 | — | — | |
| SCHEMBL13404962 | 0.74 | — | — | |
| SCHEMBL3793246 | 0.71 | TSHR (0.39) | — | |
| SCHEMBL1698133 | 0.71 | ALDH1A1 (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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-2331552-B1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2013-02-27 | — | — | EP | disclosed |
| EP-2331552-B1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2013-02-27 | — | — | EP | disclosed |
| US-20120291159-A1 | Azoline Compounds for Combating Invertebrate Pests | BASF SE (DE) | 2012-11-15 | — | — | US | disclosed |
| WO-2011073444-A2 | AZOLINE COMPOUNDS FOR COMBATING INVERTEBRATE PESTS | BASF SE (DE) | 2011-06-23 | — | — | WO | disclosed |
| EP-2331552-A1 | HEPATITIS C VIRUS INHIBITORS | Bristol-Myers Squibb Company (US) | 2011-06-15 | — | — | EP | disclosed |
| WO-2010036551-A1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2010-04-01 | — | — | WO | disclosed |
| WO-2010036551-A1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2010-04-01 | — | — | WO | disclosed |
| US-20100080770-A1 | Hepatitis C Virus Inhibitors | BRISTOL-MYERS SQUIBB COMPANY | 2010-04-01 | — | — | US | disclosed |
| US-20100080770-A1 | Hepatitis C Virus Inhibitors | BRISTOL-MYERS SQUIBB COMPANY | 2010-04-01 | — | — | US | disclosed |
| US-20100080770-A1 | Hepatitis C Virus Inhibitors | BRISTOL-MYERS SQUIBB COMPANY | 2010-04-01 | — | — | US | disclosed |