⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL219819 | 1.00 | — | — | |
| SCHEMBL4743019 | 1.00 | — | — | |
| Hydrochloric Acid SCHEMBL30460597 | 0.98 | CXCR4 (0.38) | — | |
| Hydrochloric Acid SCHEMBL22122712 | 0.98 | CXCR4 (0.38) | — | |
| Piperazine SCHEMBL10385674 | 0.98 | CXCR4 (0.41) | — | |
| SCHEMBL9484397 | 0.98 | CXCR4 (0.41) | — | |
| SCHEMBL1408398 | 0.86 | CXCR4 (0.44) | — | |
| SCHEMBL2916370 | 0.86 | CXCR4 (0.47) | — | |
| SCHEMBL19878848 | 0.86 | CXCR4 (0.47) | — | |
| SCHEMBL28767292 | 0.85 | CXCR4 (0.32) | — |
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 20 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-2008139941-A1 | SUBSTITUTED IMIDAZOLE COMPOUND AND USE THEREOF | TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) | 2008-11-20 | — | — | WO | disclosed |
| US-7384934-B2 | Piperazine substituted aryl benzodiazepines | ELI LILLY AND COMPANY (US) | 2008-06-10 | — | — | US | disclosed |
| US-7384934-B2 | Piperazine substituted aryl benzodiazepines | ELI LILLY AND COMPANY (US) | 2008-06-10 | — | — | US | disclosed |
| US-7384934-B2 | Piperazine substituted aryl benzodiazepines | ELI LILLY AND COMPANY (US) | 2008-06-10 | — | — | US | disclosed |
| US-7354921-B2 | Pyrazolotriazines as kinase inhibitors | SCHERING CORPORATION (US) | 2008-04-08 | — | — | US | disclosed |
| US-7354921-B2 | Pyrazolotriazines as kinase inhibitors | SCHERING CORPORATION (US) | 2008-04-08 | — | — | US | disclosed |
| US-20070249588-A1 | Nicotinic Acetylcholine Receptor Ligands | ASTRAZENECA AB (SE) | 2007-10-25 | — | — | US | disclosed |
| US-20070249588-A1 | Nicotinic Acetylcholine Receptor Ligands | ASTRAZENECA AB (SE) | 2007-10-25 | — | — | US | disclosed |
| US-20070249588-A1 | Nicotinic Acetylcholine Receptor Ligands | ASTRAZENECA AB (SE) | 2007-10-25 | — | — | US | disclosed |
| EP-1546134-B1 | PIPERAZINE SUBSTITUTED ARYL BENZODIAZEPINES | LILLY CO ELI (US) | 2007-05-02 | — | — | EP | disclosed |
| EP-1546134-B1 | PIPERAZINE SUBSTITUTED ARYL BENZODIAZEPINES | LILLY CO ELI (US) | 2007-05-02 | — | — | EP | disclosed |
| US-20070032495-A1 | Pyrazolotriazines as kinase inhibitors | MERCK SHARP & DOHME LLC | 2007-02-08 | — | — | US | disclosed |
| US-20070032495-A1 | Pyrazolotriazines as kinase inhibitors | MERCK SHARP & DOHME LLC | 2007-02-08 | — | — | US | disclosed |
| US-7166602-B2 | Pyrazolotriazines as kinase inhibitors | SCHERING CORPORATION (US) | 2007-01-23 | — | — | US | disclosed |
| US-7166602-B2 | Pyrazolotriazines as kinase inhibitors | SCHERING CORPORATION (US) | 2007-01-23 | — | — | US | disclosed |
| EP-1699801-A1 | NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS | AstraZeneca AB (SE) | 2006-09-13 | — | — | EP | disclosed |
| US-20060084643-A1 | Piperazine substituted aryl benzodiazepines | ELI LILLY AND COMPANY | 2006-04-20 | — | — | US | disclosed |
| WO-2005061510-A1 | NICOTINIC ACETYLCHOLINE RECEPTOR LIGANDS | ASTRAZENECA AB (SE) | 2005-07-07 | — | — | WO | disclosed |
| EP-1546134-A1 | PIPERAZINE SUBSTITUTED ARYL BENZODIAZEPINES | ELI LILLY AND COMPANY (US) | 2005-06-29 | — | — | EP | disclosed |
| WO-2004014895-A1 | PIPERAZINE SUBSTITUTED ARYL BENZODIAZEPINES | ELI LILLY AND COMPANY (US) | 2004-02-19 | — | — | WO | disclosed |