⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL1695010 | 0.97 | FDPS (0.36) | — | |
| SCHEMBL10367272 | 0.77 | CHRM2 (0.33) | — | |
| SCHEMBL4063891 | 0.77 | MAPT (0.48) | — | |
| SCHEMBL4670328 | 0.74 | SIGMAR1 (0.38) | — | |
| SCHEMBL20189364 | 0.70 | — | — | |
| SCHEMBL4430883 | 0.69 | FDPS (0.39) | — | |
| SCHEMBL28763432 | 0.68 | — | — | |
| SCHEMBL4711813 | 0.67 | — | — | |
| SCHEMBL3121602 | 0.67 | — | — | |
| SCHEMBL5525844 | 0.67 | — | — |
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-109575044-A | 2-(camptothecine -10- oxygroup) acetamides and application | 西安交通大学 | 2019-04-05 | — | — | CN | disclosed |
| EP-3129376-A1 | SUBSTITUTED 4,5,6,7-TETRAHYDRO-PYRAZOLO[1,5-A]PYRAZINE DERIVATIVES AND 5,6,7,8-TETRAHYDRO-4H-PYRAZOLO[1,5-A][1,4]DIAZEPINE DERIVATIVES AS ROS1 INHIBITORS | Janssen Pharmaceutica, N.V. (BE) | 2017-02-15 | — | — | EP | disclosed |
| WO-2015144799-A1 | SUBSTITUTED 4,5,6,7-TETRAHYDRO-PYRAZOLO[1,5-a]PYRAZINE DERIVATIVES AND 5,6,7,8-TETRAHYDRO-4H-PYRAZOLO[1,5-a][1,4]DIAZEPINE DERIVATIVES AS ROS1 INHIBITORS | JANSSEN PHARMACEUTICA NV (BE) | 2015-10-01 | — | — | WO | disclosed |
| WO-2014159251-A2 | INHIBITING NEUROTRANSMITTER REUPTAKE | MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) | 2014-10-02 | — | — | WO | disclosed |
| EP-2560974-A1 | PYRRAZOLOPYRIDINE DERIVATIVES | F. Hoffmann-La Roche AG (CH) | 2013-02-27 | — | — | EP | disclosed |
| WO-2012097196-A1 | PYRAZOLOPYRIMIDINE DERIVATIVES AND USES AS ANTICANCER AGENTS | ACEA BIOSCIENCES INC. (US) | 2012-07-19 | — | — | WO | disclosed |
| WO-2011131571-A1 | PYRRAZOLOPYRIDINE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2011-10-27 | — | — | WO | disclosed |
| EP-2276725-A1 | NEW RUTHENIUM COMPLEXES AS CATALYSTS FOR METATHESIS REACTIONS | F. Hoffmann-La Roche AG (CH) | 2011-01-26 | — | — | EP | disclosed |
| WO-2009124853-A1 | NEW RUTHENIUM COMPLEXES AS CATALYSTS FOR METATHESIS REACTIONS | F. HOFFMANN-LA ROCHE AG (CH) | 2009-10-15 | — | — | WO | disclosed |
| EP-0672037-B1 | 1,4-BENZODIAZEPINE DERIVATIVES AND THEIR USE AS CCK-MODULATORS | GLAXO GROUP LTD (GB) | 1998-07-08 | — | — | EP | disclosed |
| US-5569654-A | ADMINISTERING AS ANTAGONISTS OF GASTRIN AND CHOLECYSTOKININ | GLAXO GROUP LIMITED (GB) | 1996-10-29 | — | — | US | disclosed |
| EP-0672037-A1 | 1,4-BENZODIAZEPINE DERIVATIVES AND THEIR USE AS CCK-MODULATORS | GLAXO GROUP LIMITED (GB) | 1995-09-20 | — | — | EP | disclosed |
| WO-1994013648-A1 | 1,4-BENZODIAZEPINE DERIVATIVES AND THEIR USE AS CCK-MODULATORS | GLAXO GROUP LIMITED (GB) | 1994-06-23 | — | — | WO | disclosed |
| CN-1023801-C | 2-Oxa-isocephem compounds, compositions containing same and processes for preparing same | OTSUKA PHARMA CO LTD (JP) | 1994-02-16 | — | — | CN | disclosed |
| CN-88102161-A | 2-oxa-isocephem compounds, compositions containing them and processes for their preparation | — | 1988-10-05 | — | — | CN | disclosed |