⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL13037407 | 0.80 | — | — | |
| SCHEMBL9511030 | 0.77 | — | — | |
| SCHEMBL13499238 | 0.77 | — | — | |
| SCHEMBL8405617 | 0.76 | — | — | |
| SCHEMBL10035518 | 0.76 | MGAM (0.52) | — | |
| SCHEMBL8680933 | 0.75 | — | — | |
| SCHEMBL8926626 | 0.74 | MGAM (0.39) | — | |
| SCHEMBL7037261 | 0.72 | ALDH1A1 (0.55) | — | |
| SCHEMBL13674409 | 0.72 | ALDH1A1 (0.48) | — | |
| SCHEMBL607727 | 0.71 | — | — |
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 10 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-3074394-B1 | PROCESSES FOR PREPARING DIHYDROPYRIMIDINE DERIVATIVES AND INTERMEDIATES THEREOF | SUNSHINE LAKE PHARMA CO LTD (CN) | 2019-02-20 | — | — | EP | disclosed |
| EP-2691516-B1 | NEW PROCESS FOR THE SELECTIVE OXIDATION OF BILE ACIDS, THEIR SALTS OR DERIVATIVES | PRODOTTI CHIMICI ALIMENTARI (IT) | 2016-05-11 | — | — | EP | disclosed |
| WO-2015142903-A2 | METHOD OF CONTROLLING LACTATE PRODUCTION WITH PIPERDINE-DIONE DERIVATIVES | GENENTECH, INC. (US) | 2015-09-24 | — | — | WO | disclosed |
| WO-2015140133-A1 | PIPERIDINE-DIONE DERIVATIVES | F. HOFFMANN-LA ROCHE AG (CH) | 2015-09-24 | — | — | WO | disclosed |
| WO-2013152063-A1 | NAPHTHYRIDINONE DERIVATIVES AS INHIBITORS OF CYTOMEGALOVIRUS DNA POLYMERASE | BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) | 2013-10-10 | — | — | WO | disclosed |
| US-7829581-B2 | Prodrugs of pyrazoline compounds, their preparation and use as medicaments | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2010-11-09 | — | — | US | disclosed |
| US-20080300278-A1 | Prodrugs of Pyrazoline Compounds, Their Preparation and Use as Medicaments | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2008-12-04 | — | — | US | disclosed |
| US-20070073056-A1 | 4-Substituted Pyrazoline Compounds, their Preparation and Use as Medicaments | LABORATORIOS DEL DR. ESTEVE, S.A. (ES) | 2007-03-29 | — | — | US | disclosed |
| US-4164518-A | BETA DIKETO COMPLEXES OF PALLADIUM AS CATALYSTS | TEIJIN LIMITED (JP) | 1979-08-14 | — | — | US | disclosed |
| US-3966818-A | FROM 2,4,6-TRIMETHYLPHENOL AND OXYGEN | TEIJIN LIMITED (JA) | 1976-06-29 | — | — | US | disclosed |