⚠ 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 | |
|---|---|---|---|---|
| SCHEMBL12496155 | 0.80 | — | — | |
| SCHEMBL15139623 | 0.77 | KMT2A (0.33) | — | |
| SCHEMBL25458163 | 0.77 | KDM4E (0.33) | — | |
| SCHEMBL12495652 | 0.77 | BAZ2B (0.42) | — | |
| SCHEMBL14616286 | 0.74 | ALDH1A1 (0.31) | — | |
| SCHEMBL1046535 | 0.74 | ALDH1A1 (0.46) | — | |
| SCHEMBL752509 | 0.72 | CYP1A2 (0.41) | — | |
| SCHEMBL1485662 | 0.72 | SRC (0.35) | — | |
| SCHEMBL403843 | 0.72 | MEN1 (0.32) | — | |
| SCHEMBL510655 | 0.71 | GAA (0.33) | — |
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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-10065956-B2 | Ethynyl derivatives | HOFFMANN-LA ROCHE INC. (US) | 2018-09-04 | — | — | US | disclosed |
| EP-3271353-A1 | 3-(4-ETHYNYLPHENYL)HEXAHYDROPYRIMIDIN-2,4-DIONE DERIVATIVES AS MODULATORS OF MGLUR4 | F. Hoffmann-La Roche AG (CH) | 2018-01-24 | — | — | EP | disclosed |
| US-20180002333-A1 | ETHYNYL DERIVATIVES | HOFFMANN-LA ROCHE INC. (US) | 2018-01-04 | — | — | US | disclosed |
| WO-2016146600-A1 | 3-(4-ETHYNYLPHENYL)HEXAHYDROPYRIMIDIN-2,4-DIONE DERIVATIVES AS MODULATORS OF MGLUR4 | F. HOFFMANN-LA ROCHE AG (CH) | 2016-09-22 | — | — | WO | disclosed |
| US-20130289013-A1 | IMIDAZO[1,2-a]PYRIDINE COMPOUNDS | SUNOVION PHARMACEUTICALS INC. | 2013-10-31 | — | — | US | disclosed |
| US-20120101100-A1 | HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF-211 | ASTRAZENECA AB (SE) | 2012-04-26 | — | — | US | disclosed |
| US-20120028979-A1 | 2-(PIPERIDIN-1-YL)-4-HETEROCYCLYL-THIAZOLE-5-CARBOXYLIC ACID DERIVATIVES AGAINST BACTERIAL INFECTIONS | ASTRAZENECA AB (SE) | 2012-02-02 | — | — | US | disclosed |
| US-20120022107-A1 | 2-(PIPERIDIN-1-YL)-4-AZOLYL-THIAZOLE-5-CARBOXYLIC ACID DERIVATIVES AGAINST BACTERIAL INFECTIONS | ASTRAZENECA AB (SE) | 2012-01-26 | — | — | US | disclosed |
| US-8071605-B2 | Piperidine compounds for use in the treatment of bacterial infections | ASTRAZENECA AB (SE) | 2011-12-06 | — | — | US | disclosed |
| EP-2379545-A1 | 2- (PIPERIDIN-1-YL) -4-AZOLYL-THIAZOLE-5-CARBOXYLIC ACID DERIVATIVES AGAINST BACTERIAL INFECTIONS | AstraZeneca AB (SE) | 2011-10-26 | — | — | EP | disclosed |
| US-7674801-B2 | Alkyl urea substituted pyridines | ASTRAZENECA AB (SE) | 2010-03-09 | — | — | US | disclosed |
| EP-2158199-A1 | PIPERIDINE COMPOUNDS AND USES THEREOF | AstraZeneca AB (SE) | 2010-03-03 | — | — | EP | disclosed |
| EP-2102199-A1 | ANTIBACTERIAL POLYCYCLIC UREA COMPOUNDS | AstraZeneca AB (SE) | 2009-09-23 | — | — | EP | disclosed |
| WO-2009106885-A1 | HETEROCYCLIC UREA DERIVATIVES AND METHODS OF USE THEREOF-211 | ASTRAZENECA AB (SE) | 2009-09-03 | — | — | WO | disclosed |
| EP-2064209-A1 | PYRROLE DERIVATIVES WITH ANTIBACTERIAL ACTIVITY | AstraZeneca AB (SE) | 2009-06-03 | — | — | EP | disclosed |
| WO-2008152418-A1 | PIPERIDINE COMPOUNDS AND USES THEREOF | ASTRAZENECA AB (SE) | 2008-12-18 | — | — | WO | disclosed |
| US-20080312255-A1 | PIPERDINE COMPOUNDS AND USES THEREOF-911 | ASTRAZENECA AB (SE) | 2008-12-18 | — | — | US | disclosed |
| WO-2008068470-A1 | ANTIBACTERIAL POLYCYCLIC UREA COMPOUNDS | ASTRAZENECA AB (SE) | 2008-06-12 | — | — | WO | disclosed |
| US-20080132546-A1 | CHEMICAL COMPOUNDS | ASTRAZENECA AB (SE) | 2008-06-05 | — | — | US | disclosed |
| WO-2008020222-A1 | PYRROLE DERIVATIVES WITH ANTIBACTERIAL ACTIVITY | ASTRAZENECA AB (SE) | 2008-02-21 | — | — | WO | disclosed |