⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1894555 | 0.80 | — | — | |
| SCHEMBL972686 | 0.77 | MAPK1 (0.47) | — | |
| SCHEMBL70035 | 0.72 | KDM4E (0.59) | — | |
| SCHEMBL2439626 | 0.71 | CNR1 (0.42) | — | |
| SCHEMBL16541068 | 0.71 | — | — | |
| SCHEMBL7767700 | 0.69 | KDM4E (0.56) | — | |
| Water SCHEMBL336347 | 0.69 | KDM4E (0.56) | — | |
| Water SCHEMBL28665454 | 0.69 | KDM4E (0.56) | — | |
| Hydrochloric Acid SCHEMBL11594387 | 0.69 | KDM4E (0.56) | — | |
| SCHEMBL424891 | 0.68 | HRH4 (0.44) | — |
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 15 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-101693697-A | Pyrizdazine derivatives and their use as therapeutic agents | XENON PHARMACEUTICALS INC | 2010-04-14 | — | — | CN | claimed |
| CN-1829701-A | Piperazine derivatives and their use as therapeutic agents | XENON PHARMACEUTICALS INC (CA) | 2006-09-06 | — | — | CN | claimed |
| CN-107231794-A | Dianhydrogalactitol for use in combination with radiation in the treatment of non-small cell lung cancer and glioblastoma multiforme | 德玛医药 | 2017-10-03 | — | — | CN | disclosed |
| CN-101014587-B | Substituted biaryl piperazinyl-pyridine analogues | NEUROGEN CORP | 2013-12-18 | — | — | CN | disclosed |
| US-20120107273-A1 | NEW PIPERAZINE COMPOUND AND USE THEREOF AS A HCV POLYMERASE INHIBITOR | JAPAN TOBACCO INC. (JP) | 2012-05-03 | — | — | US | disclosed |
| US-8017612-B2 | therapeutic agent for hepatitis C; R)-4-(4-trifluoromethyl-benzenesulfonyl)-piperazine-1,3-dicarboxylic acid 3-(4-isopropyl-benzylamide) 1-pyridin-4-ylamide; enzyme inhibitors | JAPAN TOBACCO INC. (JP) | 2011-09-13 | — | — | US | disclosed |
| CN-101693697-A | Pyrizdazine derivatives and their use as therapeutic agents | XENON PHARMACEUTICALS INC | 2010-04-14 | — | — | CN | disclosed |
| CN-101472902-A | Novel piperazine compounds and their use as HCV polymerase inhibitors | JAPAN TOBACCO INC (JP) | 2009-07-01 | — | — | CN | disclosed |
| EP-2009004-A1 | NOVEL PIPERAZINE COMPOUND, AND USE THEREOF AS HCV POLYMERASE INHIBITOR | Japan Tobacco, Inc. (JP) | 2008-12-31 | — | — | EP | disclosed |
| US-20080081818-A1 | therapeutic agent for hepatitis C; R)-4-(4-trifluoromethyl-benzenesulfonyl)-piperazine-1,3-dicarboxylic acid 3-(4-isopropyl-benzylamide) 1-pyridin-4-ylamide; enzyme inhibitors | JAPAN TOBACCO INC. (JP) | 2008-04-03 | — | — | US | disclosed |
| CN-1829701-A | Piperazine derivatives and their use as therapeutic agents | XENON PHARMACEUTICALS INC (CA) | 2006-09-06 | — | — | CN | disclosed |
| US-6011037-A | Thiazole derivatives with phosphodiesterase-inhibiting action | BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) | 2000-01-04 | — | — | US | disclosed |
| EP-0920426-A1 | NEW THIAZOLE DERIVATIVES WITH PHOSPHODIESTERASE-INHIBITING EFFECT | Byk Gulden Lomberg Chemische Fabrik GmbH (DE) | 1999-06-09 | — | — | EP | disclosed |
| WO-1998008841-A1 | NEW THIAZOLE DERIVATIVES WITH PHOSPHODIESTERASE-INHIBITING EFFECT | BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) | 1998-03-05 | — | — | WO | disclosed |
| WO-1998008830-A1 | THIAZOLE DERIVATIVES USEFUL AS SELECTIVE INHIBITORS OF PDE-IV | BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) | 1998-03-05 | — | — | WO | disclosed |