⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL8275843 | 1.00 | — | — | |
| SCHEMBL12396901 | 0.79 | — | — | |
| SCHEMBL20629742 | 0.78 | NPC1 (0.33) | — | |
| SCHEMBL8134673 | 0.78 | — | — | |
| SCHEMBL8140666 | 0.78 | — | — | |
| SCHEMBL8228972 | 0.75 | — | — | |
| SCHEMBL13071374 | 0.74 | ALOX5 (0.38) | — | |
| SCHEMBL8272281 | 0.74 | CA1 (0.32) | — | |
| SCHEMBL883057 | 0.72 | KMT2A (0.31) | — | |
| SCHEMBL668904 | 0.72 | KMT2A (0.31) | — |
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 6 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2013074386-A2 | HCV NS3 PROTEASE INHIBITORS | MERCK SHARP & DOHME CORP. (US) | 2013-05-23 | — | — | WO | disclosed |
| WO-2012047764-A1 | THERAPEUTIC ANTIVIRAL PEPTIDES | INTERMUNE, INC. (US) | 2012-04-12 | — | — | WO | disclosed |
| WO-2012040242-A1 | SUBSTITUTED PROLINE INHIBITORS OF HEPATITIS C VIRUS REPLICATION | INTERMUNE, INC. (US) | 2012-03-29 | — | — | WO | disclosed |
| WO-2009142842-A9 | NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION | INTERMUNE, INC. (US) | 2010-11-25 | — | — | WO | disclosed |
| WO-2010045266-A1 | THERAPEUTIC ANTIVIRAL PEPTIDES | INTERMUNE, INC. (US) | 2010-04-22 | — | — | WO | disclosed |
| WO-2009142842-A2 | NOVEL MACROCYCLIC INHIBITORS OF HEPATITIS C VIRUS REPLICATION | INTERMUNE, INC. (US) | 2009-11-26 | — | — | WO | disclosed |