⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL10321356 | 0.80 | ALDH1A1 (0.35) | — | |
| SCHEMBL13729854 | 0.79 | — | — | |
| SCHEMBL2224796 | 0.74 | — | — | |
| SCHEMBL18709722 | 0.74 | — | — | |
| SCHEMBL805007 | 0.74 | — | — | |
| SCHEMBL13924361 | 0.74 | — | — | |
| SCHEMBL15536416 | 0.73 | ALDH1A1 (0.31) | — | |
| SCHEMBL3810214 | 0.72 | GBA1 (0.44) | — | |
| SCHEMBL1527798 | 0.70 | NR1H4 (0.34) | — | |
| SCHEMBL23126916 | 0.70 | KDM1A (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 12 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2016009306-A1 | HETEROCYCLYL COMPOUNDS AS MEK INHIBITORS | LUPIN LIMITED (IN) | 2016-01-21 | — | — | WO | disclosed |
| WO-2012040242-A1 | SUBSTITUTED PROLINE INHIBITORS OF HEPATITIS C VIRUS REPLICATION | INTERMUNE, INC. (US) | 2012-03-29 | — | — | WO | disclosed |
| EP-2086995-B1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2012-02-22 | — | — | EP | disclosed |
| EP-1879910-B1 | TRIPEPTIDES AS HEPATITIS C VIRUS INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2011-11-09 | — | — | EP | disclosed |
| EP-1505963-B9 | HEPATITIS C VIRUS INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2011-09-21 | — | — | EP | disclosed |
| EP-1505963-B1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL MYERS SQUIBB CO (US) | 2011-04-20 | — | — | EP | disclosed |
| US-7915291-B2 | Hepatitis C virus inhibitors | BRISTOL-MYERS SQUIBB COMPANY (US) | 2011-03-29 | — | — | US | disclosed |
| US-20090274656-A1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY | 2009-11-05 | — | — | US | disclosed |
| WO-2009129109-A1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2009-10-22 | — | — | WO | disclosed |
| EP-2033654-A1 | Macrocyclic isoquinoline peptide inhibitors of hepatitis c virus | Bristol-Myers Squibb Company (US) | 2009-03-11 | — | — | EP | disclosed |
| WO-2008064066-A1 | HEPATITIS C VIRUS INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2008-05-29 | — | — | WO | disclosed |
| WO-2006122188-A2 | TRIPEPTIDES AS HEPATITIS C VIRUS INHIBITORS | BRISTOL-MYERS SQUIBB COMPANY (US) | 2006-11-16 | — | — | WO | disclosed |